CS-0914379
1-(4-(1-(2,6-difluorobenzyl)-3-(6-methoxypyridazin-3-yl)-5-((methylamino)methyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)-3-methoxyurea
Manufacturer: ChemScene
CAS Number: 737790-54-4
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₈H₂₅F₂N₇O₅S
Molecular Weight
609.60
Synonyms
None
SMILES
O=C(NOC)NC=1C=CC(=CC1)C=2SC3=C(C(=O)N(C(=O)N3CC=4C(F)=CC=CC4F)C5=NN=C(OC)C=C5)C2CNC
Tpsa
141.4
Logp
3.4083
H Acceptors
11
H Donors
3
Rotatable Bonds
9
Related Products
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₂₅F₂N₇O₅S
Molecular Weight: 609.60
Synonyms: None
SMILES: O=C(NOC)NC=1C=CC(=CC1)C=2SC3=C(C(=O)N(C(=O)N3CC=4C(F)=CC=CC4F)C5=NN=C(OC)C=C5)C2CNC
Tpsa: 141.4
Logp: 3.4083
H Acceptors: 11
H Donors: 3
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₂₅F₂N₇O₅S
Molecular Weight:
609.60
Synonyms:
None
SMILES:
O=C(NOC)NC=1C=CC(=CC1)C=2SC3=C(C(=O)N(C(=O)N3CC=4C(F)=CC=CC4F)C5=NN=C(OC)C=C5)C2CNC
Tpsa:
141.4
Logp:
3.4083
H Acceptors:
11
H Donors:
3
Rotatable Bonds:
9
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₇H₄₉F₄N₁₃O₉S₂
Molecular Weight: 1200.20
Synonyms: None
SMILES: O=C(NC=1C=CC(=CC1)C=2SC3=C(C(=O)N(C(=O)N3CC=4C(F)=CC=CC4F)C5=NN=C(OC)C=C5)C2CN(C)C)N(OC)C(=O)NC=6C=CC(=CC6)C=7SC8=C(C(=O)N(C(=O)N8CC=9C(F)=CC=CC9F)C%10=NN=C(OC)C=C%10)C7CN(C)C
Tpsa: 235.17
Logp: 8.076
H Acceptors: 21
H Donors: 2
Rotatable Bonds: 17
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₇H₄₉F₄N₁₃O₉S₂
Molecular Weight:
1200.20
Synonyms:
None
SMILES:
O=C(NC=1C=CC(=CC1)C=2SC3=C(C(=O)N(C(=O)N3CC=4C(F)=CC=CC4F)C5=NN=C(OC)C=C5)C2CN(C)C)N(OC)C(=O)NC=6C=CC(=CC6)C=7SC8=C(C(=O)N(C(=O)N8CC=9C(F)=CC=CC9F)C%10=NN=C(OC)C=C%10)C7CN(C)C
Tpsa:
235.17
Logp:
8.076
H Acceptors:
21
H Donors:
2
Rotatable Bonds:
17
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₈CaFN₃O₆S
Molecular Weight: 521.62
Synonyms: None
SMILES: OC(C[C@H](O)C[C@@H](O)/C=C/C1=C(C(C)C)N=C(N(C)S(C)(=O)=O)N=C1C2=CC=C(C=C2)F)=O.[Ca].[0.5]
Tpsa: 140.92
Logp: 2.0209
H Acceptors: 7
H Donors: 3
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₈CaFN₃O₆S
Molecular Weight:
521.62
Synonyms:
None
SMILES:
OC(C[C@H](O)C[C@@H](O)/C=C/C1=C(C(C)C)N=C(N(C)S(C)(=O)=O)N=C1C2=CC=C(C=C2)F)=O.[Ca].[0.5]
Tpsa:
140.92
Logp:
2.0209
H Acceptors:
7
H Donors:
3
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₈O₆
Molecular Weight: 246.26
Synonyms: None
SMILES: C(C(O)=O)[C@@H]1OC(C)(C)O[C@H](COC(C)=O)C1
Tpsa: 82.06
Logp: 0.9344
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₈O₆
Molecular Weight:
246.26
Synonyms:
None
SMILES:
C(C(O)=O)[C@@H]1OC(C)(C)O[C@H](COC(C)=O)C1
Tpsa:
82.06
Logp:
0.9344
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
4