6466-0957 Screening compound: N-(2-chloropyridin-3-yl)-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide

6466-0957 Screening compound: N-(2-chloropyridin-3-yl)-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
6466-0957 Screening compound: N-(2-chloropyridin-3-yl)-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0957
N-(2-chloropyridin-3-yl)-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-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

6466-0957

Molecular Formula

C16H10ClF3N4O2S (C16 H10 ClF3 N4 O2 S)

Compound Name

N-(2-chloropyridin-3-yl)-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

N-(2-chloropyridin-3-yl)-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide

SMILES

O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1cccnc1Cl

InChI

InChI=1S/C16H10ClF3N4O2S/c17-14-9(3-1-5-21-14)22-13(25)8-27-15-23-10(11-4-2-6-26-11)7-12(24-15)16(18,19)20/h1-7H,8H2,(H,22,25)

InChI Key

RTVJTCCJKLQCOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02737438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.8

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.453

Distribution Coefficient, logD

3.453

Water Solubility, LogSw

-3.82

Polar Surface Area

57.704

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

6466-0957 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6466-0957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0957?
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What is the minimum amount of 6466-0957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0957
  • 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 6466-0957 available by request