8014-2850 Screening compound: 4-{1-[(pyridin-2-yl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-amine

8014-2850 Screening compound: 4-{1-[(pyridin-2-yl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-amine
8014-2850 Screening compound: 4-{1-[(pyridin-2-yl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2850
4-{1-[(pyridin-2-yl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-amine

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

8014-2850

Molecular Formula

C15H12N6O (C15 H12 N6 O)

Compound Name

4-{1-[(pyridin-2-yl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-amine

IUPAC name

4-{1-[(pyridin-2-yl)methyl]-1H-13-benzodiazol-2-yl}-125-oxadiazol-3-amine

SMILES

Nc1nonc1-c1nc(cccc2)c2n1Cc1ncccc1

InChI

InChI=1S/C15H12N6O/c16-14-13(19-22-20-14)15-18-11-6-1-2-7-12(11)21(15)9-10-5-3-4-8-17-10/h1-8H,9H2,(H2,16,20)

InChI Key

KJWUNIIUHITOKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.451

Distribution Coefficient, logD

2.383

Water Solubility, LogSw

-2.50

Polar Surface Area

76.524

Acid Dissociation Constant (pKa)

18.62

Base Dissociation Constant (pKb)

6.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8014-2850 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8014-2850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2850?
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What is the minimum amount of 8014-2850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2850
  • 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 8014-2850 available by request