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BR102910

CAT: 1410-M28937-07Size: 200 mgDry Ice: NoHazardous: No
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CAT#:1410-M28937-07Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
4-Thiazolecarboxamide, N-[2-[ (2S) -2-cyano-4,4-difluoro-1-pyrrolidinyl]-2-oxoethyl]-2-[ (3,4-dichlorophenyl) methyl]- (BR102910) is a selective inhibitor of fibroblast activated protein (FAP) .
CAS Number
2505339-54-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
459.3
Molecular Formula
C18H14Cl2F2N4O2S
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

(S)-N-[2-(2-Cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-2-(3,4-dichlorobenzyl)thiazole-4-carboxamide
CAS Number2505339-54-6
PubChem CID155754825
IUPAC NameN-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-[(3,4-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide
Molecular FormulaC18H14Cl2F2N4O2S
Molecular Weight459.3
XLogP3.9
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity692
SMILES
C1[C@H](N(CC1(F)F)C(=O)CNC(=O)C2=CSC(=N2)CC3=CC(=C(C=C3)Cl)Cl)C#N
InChI
InChI=1S/C18H14Cl2F2N4O2S/c19-12-2-1-10(3-13(12)20)4-15-25-14(8-29-15)17(28)24-7-16(27)26-9-18(21,22)5-11(26)6-23/h1-3,8,11H,4-5,7,9H2,(H,24,28)/t11-/m0/s1
InChIKey
JTSUDVSZJDOOJG-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of (S)-N-[2-(2-Cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-2-(3,4-dichlorobenzyl)thiazole-4-carboxamide
CAS: 2505339-54-6
CID: 155754825
Formula: C18H14Cl2F2N4O2S
MW: 459.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.3
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass458.0182586
Monoisotopic Mass458.0182586
Topological Polar Surface Area114 Ų
Heavy Atom Count29
Formal Charge0
Complexity692
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA8280-5BR102910

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