D268-0396 Screening compound: 4-{1-[(4-bromophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-amine

D268-0396 Screening compound: 4-{1-[(4-bromophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-amine
D268-0396 Screening compound: 4-{1-[(4-bromophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D268-0396
4-{1-[(4-bromophenyl)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

D268-0396

Molecular Formula

C16H12BrN5O (C16 H12 BrN5 O)

Compound Name

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

IUPAC name

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

SMILES

Nc1nonc1-c1nc(cccc2)c2n1Cc(cc1)ccc1Br

InChI

InChI=1S/C16H12BrN5O/c17-11-7-5-10(6-8-11)9-22-13-4-2-1-3-12(13)19-16(22)14-15(18)21-23-20-14/h1-8H,9H2,(H2,18,21)

InChI Key

SNHPJBSRPGGGJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01925930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.21

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.434

Distribution Coefficient, logD

4.432

Water Solubility, LogSw

-4.63

Polar Surface Area

66.980

Acid Dissociation Constant (pKa)

18.62

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

D268-0396 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

BRD4 Targeted Library (4534 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with D268-0396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D268-0396?
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What is the minimum amount of D268-0396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D268-0396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D268-0396
  • 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 D268-0396 available by request