2642-1694 Screening compound: 2-(4-bromophenyl)-5-nitro-1,3-benzoxazole

2642-1694 Screening compound: 2-(4-bromophenyl)-5-nitro-1,3-benzoxazole
2642-1694 Screening compound: 2-(4-bromophenyl)-5-nitro-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2642-1694
2-(4-bromophenyl)-5-nitro-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

2642-1694

Molecular Formula

C13H7BrN2O3 (C13 H7 BrN2 O3)

Compound Name

2-(4-bromophenyl)-5-nitro-1,3-benzoxazole

IUPAC name

2-(4-bromophenyl)-5-nitro-13-benzoxazole

SMILES

[O-][N+](c(cc1)cc2c1oc(-c(cc1)ccc1Br)n2)=O

InChI

InChI=1S/C13H7BrN2O3/c14-9-3-1-8(2-4-9)13-15-11-7-10(16(17)18)5-6-12(11)19-13/h1-7H

InChI Key

WQCLSYOCZOQWRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01796979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.11

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.370

Distribution Coefficient, logD

4.370

Water Solubility, LogSw

-4.68

Polar Surface Area

50.430

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2642-1694 in Drug Discovery

Included in Screening Libraries

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 2642-1694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2642-1694?
Check Price and Availability of 2642-1694, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2642-1694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2642-1694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2642-1694
  • 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 2642-1694 available by request