8209-0876 Screening compound: 4-nitro-7-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,1,3-benzoxadiazole

8209-0876 Screening compound: 4-nitro-7-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,1,3-benzoxadiazole
8209-0876 Screening compound: 4-nitro-7-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,1,3-benzoxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8209-0876
4-nitro-7-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,1,3-benzoxadiazole

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

8209-0876

Molecular Formula

C14H7N5O4S (C14 H7 N5 O4 S)

Compound Name

4-nitro-7-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,1,3-benzoxadiazole

IUPAC name

4-nitro-7-[(5-phenyl-134-oxadiazol-2-yl)sulfanyl]-213-benzoxadiazole

SMILES

[O-][N+](c(c1nonc11)ccc1Sc1nnc(-c2ccccc2)o1)=O

InChI

InChI=1S/C14H7N5O4S/c20-19(21)9-6-7-10(12-11(9)17-23-18-12)24-14-16-15-13(22-14)8-4-2-1-3-5-8/h1-7H

InChI Key

NGNCQCYADVLMLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08087516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.31

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.395

Distribution Coefficient, logD

3.395

Water Solubility, LogSw

-3.80

Polar Surface Area

100.005

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-5.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8209-0876 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8209-0876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8209-0876?
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What is the minimum amount of 8209-0876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8209-0876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8209-0876
  • 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 8209-0876 available by request