0665-0036 Screening compound: 5-chloro-3-(4-chlorobenzoyl)-2,3-dihydro-1,3-benzoxazole-2-thione

0665-0036 Screening compound: 5-chloro-3-(4-chlorobenzoyl)-2,3-dihydro-1,3-benzoxazole-2-thione
0665-0036 Screening compound: 5-chloro-3-(4-chlorobenzoyl)-2,3-dihydro-1,3-benzoxazole-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0665-0036
5-chloro-3-(4-chlorobenzoyl)-2,3-dihydro-1,3-benzoxazole-2-thione

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

0665-0036

Molecular Formula

C14H7Cl2NO2S (C14 H7 Cl2 NO2 S)

Compound Name

5-chloro-3-(4-chlorobenzoyl)-2,3-dihydro-1,3-benzoxazole-2-thione

IUPAC name

5-chloro-3-(4-chlorobenzoyl)-23-dihydro-13-benzoxazole-2-thione

SMILES

O=C(c(cc1)ccc1Cl)N(c(cc(cc1)Cl)c1O1)C1=S

InChI

InChI=1S/C14H7Cl2NO2S/c15-9-3-1-8(2-4-9)13(18)17-11-7-10(16)5-6-12(11)19-14(17)20/h1-7H

InChI Key

LGRVUZQNPDQPRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00545395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.19

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.055

Distribution Coefficient, logD

4.055

Water Solubility, LogSw

-4.65

Polar Surface Area

22.459

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-5.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0665-0036 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0665-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0665-0036?
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What is the minimum amount of 0665-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0665-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0665-0036
  • 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 0665-0036 available by request