8001-8149 Screening compound: 2-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide

8001-8149 Screening compound: 2-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
8001-8149 Screening compound: 2-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-8149
2-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(3-methylphenyl)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

8001-8149

Molecular Formula

C20H14F3N3OS2 (C20 H14 F3 N3 OS2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(NC(CSc(nc(cc2C(F)(F)F)-c3cccs3)c2C#N)=O)c1

InChI

InChI=1S/C20H14F3N3OS2/c1-12-4-2-5-13(8-12)25-18(27)11-29-19-14(10-24)15(20(21,22)23)9-16(26-19)17-6-3-7-28-17/h2-9H,11H2,1H3,(H,25,27)

InChI Key

LIRQEBOXUUPWJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00473173

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

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.799

Distribution Coefficient, logD

5.799

Water Solubility, LogSw

-5.52

Polar Surface Area

49.666

Acid Dissociation Constant (pKa)

12.93

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

8001-8149 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8001-8149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-8149?
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What is the minimum amount of 8001-8149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-8149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-8149
  • 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 8001-8149 available by request