2369-0694 Screening compound: 2-[(5-chloro-2-nitrophenyl)sulfanyl]-1,3-benzoxazole

2369-0694 Screening compound: 2-[(5-chloro-2-nitrophenyl)sulfanyl]-1,3-benzoxazole
2369-0694 Screening compound: 2-[(5-chloro-2-nitrophenyl)sulfanyl]-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2369-0694
2-[(5-chloro-2-nitrophenyl)sulfanyl]-1,3-benzoxazole

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

2369-0694

Molecular Formula

C13H7ClN2O3S (C13 H7 ClN2 O3 S)

Compound Name

2-[(5-chloro-2-nitrophenyl)sulfanyl]-1,3-benzoxazole

IUPAC name

2-[(5-chloro-2-nitrophenyl)sulfanyl]-13-benzoxazole

SMILES

[O-][N+](c(ccc(Cl)c1)c1Sc1nc(cccc2)c2o1)=O

InChI

InChI=1S/C13H7ClN2O3S/c14-8-5-6-10(16(17)18)12(7-8)20-13-15-9-3-1-2-4-11(9)19-13/h1-7H

InChI Key

CODBFXKDLFMXTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01173882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.73

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.607

Distribution Coefficient, logD

4.607

Water Solubility, LogSw

-4.81

Polar Surface Area

49.711

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2369-0694 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2369-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2369-0694?
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What is the minimum amount of 2369-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2369-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2369-0694
  • 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 2369-0694 available by request