8018-2966 Screening compound: 2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-amine

8018-2966 Screening compound: 2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-amine
8018-2966 Screening compound: 2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2966
2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-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

8018-2966

Molecular Formula

C13H8BrClN2O (C13 H8 BrClN2 O)

Compound Name

2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-amine

IUPAC name

2-(5-bromo-2-chlorophenyl)-13-benzoxazol-5-amine

SMILES

Nc(cc1)cc2c1oc(-c(cc(cc1)Br)c1Cl)n2

InChI

InChI=1S/C13H8BrClN2O/c14-7-1-3-10(15)9(5-7)13-17-11-6-8(16)2-4-12(11)18-13/h1-6H,16H2

InChI Key

VHHFGVFUDZMDCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01145121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.58

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.996

Distribution Coefficient, logD

3.996

Water Solubility, LogSw

-4.55

Polar Surface Area

37.855

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8018-2966 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-2966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2966?
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What is the minimum amount of 8018-2966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2966
  • 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 8018-2966 available by request