8001-8143 Screening compound: N-benzyl-2-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide

8001-8143 Screening compound: N-benzyl-2-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide
8001-8143 Screening compound: N-benzyl-2-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-8143
N-benzyl-2-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}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

8001-8143

Molecular Formula

C20H14F3N3OS2 (C20 H14 F3 N3 OS2)

Compound Name

N-benzyl-2-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide

IUPAC name

N-benzyl-2-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide

SMILES

N#Cc(c(C(F)(F)F)cc(-c1cccs1)n1)c1SCC(NCc1ccccc1)=O

InChI

InChI=1S/C20H14F3N3OS2/c21-20(22,23)15-9-16(17-7-4-8-28-17)26-19(14(15)10-24)29-12-18(27)25-11-13-5-2-1-3-6-13/h1-9H,11-12H2,(H,25,27)

InChI Key

VJOZSIMITSOYMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00473168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.121

Distribution Coefficient, logD

5.121

Water Solubility, LogSw

-5.41

Polar Surface Area

50.989

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

8001-8143 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8001-8143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-8143?
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What is the minimum amount of 8001-8143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-8143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-8143
  • 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 8001-8143 available by request