4061-0014 Screening compound: N-(4-bromophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine

4061-0014 Screening compound: N-(4-bromophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
4061-0014 Screening compound: N-(4-bromophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4061-0014
N-(4-bromophenyl)-4-nitro-2,1,3-benzoxadiazol-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

4061-0014

Molecular Formula

C12H7BrN4O3 (C12 H7 BrN4 O3)

Compound Name

N-(4-bromophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine

IUPAC name

N-(4-bromophenyl)-4-nitro-213-benzoxadiazol-5-amine

SMILES

[O-][N+](c(c1nonc1cc1)c1Nc(cc1)ccc1Br)=O

InChI

InChI=1S/C12H7BrN4O3/c13-7-1-3-8(4-2-7)14-10-6-5-9-11(16-20-15-9)12(10)17(18)19/h1-6,14H

InChI Key

XQWSKQVIPXYGNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00576850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.12

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.992

Distribution Coefficient, logD

4.992

Water Solubility, LogSw

-5.08

Polar Surface Area

77.322

Acid Dissociation Constant (pKa)

13.52

Base Dissociation Constant (pKb)

-5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4061-0014 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 4061-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4061-0014?
Check Price and Availability of 4061-0014, 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 4061-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4061-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4061-0014
  • 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 4061-0014 available by request