8001-8151 Screening compound: 2-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(3,5-dibromopyridin-2-yl)acetamide

8001-8151 Screening compound: 2-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(3,5-dibromopyridin-2-yl)acetamide
8001-8151 Screening compound: 2-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(3,5-dibromopyridin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-8151
2-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(3,5-dibromopyridin-2-yl)acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8001-8151

Molecular Formula

C20H11Br2F3N4OS (C20 H11 Br2 F3 N4 OS)

Compound Name

2-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(3,5-dibromopyridin-2-yl)acetamide

IUPAC name

2-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(35-dibromopyridin-2-yl)acetamide

SMILES

N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCC(Nc(ncc(Br)c1)c1Br)=O

InChI

InChI=1S/C20H11Br2F3N4OS/c21-12-6-15(22)18(27-9-12)29-17(30)10-31-19-13(8-26)14(20(23,24)25)7-16(28-19)11-4-2-1-3-5-11/h1-7,9H,10H2,(H,27,29,30)

InChI Key

NZGSJXZYIQPPCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00473175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

572.2

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.259

Distribution Coefficient, logD

6.174

Water Solubility, LogSw

-5.86

Polar Surface Area

58.425

Acid Dissociation Constant (pKa)

8.07

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8001-8151 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8001-8151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-8151?
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What is the minimum amount of 8001-8151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-8151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-8151
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8001-8151 available by request