4356-0029 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-chlorophenyl)ethan-1-one

4356-0029 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-chlorophenyl)ethan-1-one
4356-0029 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-chlorophenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4356-0029
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-chlorophenyl)ethan-1-one

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

4356-0029

Molecular Formula

C15H10ClNO2S (C15 H10 ClNO2 S)

Compound Name

2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-chlorophenyl)ethan-1-one

IUPAC name

2-(13-benzoxazol-2-ylsulfanyl)-1-(4-chlorophenyl)ethan-1-one

SMILES

O=C(CSc1nc(cccc2)c2o1)c(cc1)ccc1Cl

InChI

InChI=1S/C15H10ClNO2S/c16-11-7-5-10(6-8-11)13(18)9-20-15-17-12-3-1-2-4-14(12)19-15/h1-8H,9H2

InChI Key

WRGBJLVWDGBGMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00680214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.77

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.387

Distribution Coefficient, logD

4.387

Water Solubility, LogSw

-4.78

Polar Surface Area

29.877

Acid Dissociation Constant (pKa)

17.41

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

4356-0029 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4356-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4356-0029?
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What is the minimum amount of 4356-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4356-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4356-0029
  • 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 4356-0029 available by request