Products for Research Use Only
RegisterLogin

B022

CAT: 0013-GTR19259432-03Size: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19259432-03Size:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
​​B022​​ represents a breakthrough in targeted kinase modulation as a highly potent and selective NF-κB-inducing kinase (NIK) antagonist.
CAS Number
1202764-53-1
Purity
>98%
Smiles
ClC1=CN=C (N) N=C1N1C2C=C (C#CC (C3=NC=CS3) (C) O) C=CC=2CC1
Molecular Formula
C19H16CLN5OS
Molecular Weight
397.881240844727
Notes
For research use only.

Chemical Information

4-(1-(2-Amino-5-chloropyrimidin-4-yl)indolin-6-yl)-2-(thiazol-2-yl)but-3-yn-2-ol
CAS Number1202764-53-1
PubChem CID58221879
IUPAC Name4-[1-(2-amino-5-chloropyrimidin-4-yl)-2,3-dihydroindol-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
Molecular FormulaC19H16ClN5OS
Molecular Weight397.9
XLogP3
Topological Polar Surface Area116
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity611
SMILES
CC(C#CC1=CC2=C(CCN2C3=NC(=NC=C3Cl)N)C=C1)(C4=NC=CS4)O
InChI
InChI=1S/C19H16ClN5OS/c1-19(26,17-22-7-9-27-17)6-4-12-2-3-13-5-8-25(15(13)10-12)16-14(20)11-23-18(21)24-16/h2-3,7,9-11,26H,5,8H2,1H3,(H2,21,23,24)
InChIKey
OKFYOOFXVBCIIP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(1-(2-Amino-5-chloropyrimidin-4-yl)indolin-6-yl)-2-(thiazol-2-yl)but-3-yn-2-ol
CAS: 1202764-53-1
CID: 58221879
Formula: C19H16ClN5OS
MW: 397.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.9
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass397.0764090
Monoisotopic Mass397.0764090
Topological Polar Surface Area116 Ų
Heavy Atom Count27
Formal Charge0
Complexity611
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19184670-01B026
GTR19260534-01B02
GTR17966619B0228.8 Antibody
GTR17966590B0252.3 Antibody
GTR17965503B0228.9 Antibody
GTR17963914B0272.3 Antibody
GTR19107077-01Recombinant Uncharacterized protein B0228.6 (B0228.6)
GTR17966788B0228.6 Antibody
GTR17966814B0252.5 Antibody
GTR17964824B0228.7 Antibody

Alternative Products

CatalogName
BA8632-10B022
MBS7098055-01Recombinant Conus tessulatus Conotoxin TsMMSK-B022

Popular Products