6466-0876 Screening compound: N-(2-benzoyl-4-chlorophenyl)-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide

6466-0876 Screening compound: N-(2-benzoyl-4-chlorophenyl)-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
6466-0876 Screening compound: N-(2-benzoyl-4-chlorophenyl)-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0876
N-(2-benzoyl-4-chlorophenyl)-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

6466-0876

Molecular Formula

C24H15ClF3N3O3S (C24 H15 ClF3 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc(ccc(Cl)c1)c1C(c1ccccc1)=O

InChI

InChI=1S/C24H15ClF3N3O3S/c25-15-8-9-17(16(11-15)22(33)14-5-2-1-3-6-14)29-21(32)13-35-23-30-18(19-7-4-10-34-19)12-20(31-23)24(26,27)28/h1-12H,13H2,(H,29,32)

InChI Key

BQNVKRYRFKDOGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02737350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.820

Distribution Coefficient, logD

5.816

Water Solubility, LogSw

-5.99

Polar Surface Area

61.486

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

6466-0876 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6466-0876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0876?
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What is the minimum amount of 6466-0876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0876
  • 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 6466-0876 available by request