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BI 639667

CAT: 1410-M11194-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M11194-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BI 639667 (BI639667) is a potent and selective antagonist of human CCR1 with binding IC50 of 5.4 nM.
CAS Number
1295298-26-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
451.476
Molecular Formula
C22H18FN5O3S
Notes
Research use only, not for human use.
Receptor
Chemokine Receptor

Chemical Information

CCR1 antagonist 8
CAS Number1295298-26-8
PubChem CID52916803
IUPAC Name1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide
Molecular FormulaC22H18FN5O3S
Molecular Weight451.5
XLogP1.9
Topological Polar Surface Area115
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity809
SMILES
CS(=O)(=O)C1=NC=CC(=C1)C2(CC2)NC(=O)C3=CN=CC4=C3C=NN4C5=CC=C(C=C5)F
InChI
InChI=1S/C22H18FN5O3S/c1-32(30,31)20-10-14(6-9-25-20)22(7-8-22)27-21(29)18-11-24-13-19-17(18)12-26-28(19)16-4-2-15(23)3-5-16/h2-6,9-13H,7-8H2,1H3,(H,27,29)
InChIKey
PXQATVYJKMMHAU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CCR1 antagonist 8
CAS: 1295298-26-8
CID: 52916803
Formula: C22H18FN5O3S
MW: 451.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.5
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass451.11143879
Monoisotopic Mass451.11143879
Topological Polar Surface Area115 Ų
Heavy Atom Count32
Formal Charge0
Complexity809
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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