AH85371
898044-15-0 | Pf-3758309
Manufacturer: A2B Chem
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CatalogNumber
AH85371
ChemicalName
Pf-3758309
CasNumber
898044-15-0
MolecularFormula
C25H30N8OS
MolecularWeight
490.62370000000004
MdlNumber
MFCD18633226
Smiles
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)nc2c1scc2)C
Complexity
747
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
35
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
3
RotatableBondCount
6
Xlogp3
3.1
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CatalogNumber: AH85371
ChemicalName: Pf-3758309
CasNumber: 898044-15-0
MolecularFormula: C25H30N8OS
MolecularWeight: 490.62370000000004
MdlNumber: MFCD18633226
Smiles: CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)nc2c1scc2)C
Complexity: 747
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 35
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 3
RotatableBondCount: 6
Xlogp3: 3.1
CatalogNumber:
AH85371
ChemicalName:
Pf-3758309
CasNumber:
898044-15-0
MolecularFormula:
C25H30N8OS
MolecularWeight:
490.62370000000004
MdlNumber:
MFCD18633226
Smiles:
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)nc2c1scc2)C
Complexity:
747
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
35
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
3
RotatableBondCount:
6
Xlogp3:
3.1
CatalogNumber: AH85372
ChemicalName: N-Methyl-n-(3-((2-(2-oxoindolin-5-ylamino)-5-(trifluoromethyl)pyrimidin-4-ylamino)methyl)pyridin-2-yl)methanesulfonamide benzenesulfonate
CasNumber: 939791-38-5
MolecularFormula: C27H26F3N7O6S2
MolecularWeight: 665.6638496
MdlNumber: MFCD14105612
Smiles: OS(=O)(=O)c1ccccc1.O=C1Nc2c(C1)cc(cc2)Nc1ncc(c(n1)NCc1cccnc1N(S(=O)(=O)C)C)C(F)(F)F
Complexity: 1040
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: __
HeavyAtomCount: 45
HydrogenBondAcceptorCount: 15
HydrogenBondDonorCount: 4
RotatableBondCount: 8
Xlogp3: __
CatalogNumber:
AH85372
ChemicalName:
N-Methyl-n-(3-((2-(2-oxoindolin-5-ylamino)-5-(trifluoromethyl)pyrimidin-4-ylamino)methyl)pyridin-2-yl)methanesulfonamide benzenesulfonate
CasNumber:
939791-38-5
MolecularFormula:
C27H26F3N7O6S2
MolecularWeight:
665.6638496
MdlNumber:
MFCD14105612
Smiles:
OS(=O)(=O)c1ccccc1.O=C1Nc2c(C1)cc(cc2)Nc1ncc(c(n1)NCc1cccnc1N(S(=O)(=O)C)C)C(F)(F)F
Complexity:
1040
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
45
HydrogenBondAcceptorCount:
15
HydrogenBondDonorCount:
4
RotatableBondCount:
8
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(OC)c(c(c1)OC)/C=C/S(=O)(=O)Cc1ccc(c(c1)OP(=O)(O)O)OC
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(OC)c(c(c1)OC)/C=C/S(=O)(=O)Cc1ccc(c(c1)OP(=O)(O)O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)Oc1cccc(c1)c1nc(Cl)c2c(n1)cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)Oc1cccc(c1)c1nc(Cl)c2c(n1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__