4061-0013 Screening compound: 7-chloro-N-(3,4-dimethylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine

4061-0013 Screening compound: 7-chloro-N-(3,4-dimethylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
4061-0013 Screening compound: 7-chloro-N-(3,4-dimethylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4061-0013
7-chloro-N-(3,4-dimethylphenyl)-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

4061-0013

Molecular Formula

C14H11ClN4O3 (C14 H11 ClN4 O3)

Compound Name

7-chloro-N-(3,4-dimethylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine

IUPAC name

7-chloro-N-(34-dimethylphenyl)-4-nitro-213-benzoxadiazol-5-amine

SMILES

Cc(cc1)c(C)cc1Nc(cc(c1nonc11)Cl)c1[N+]([O-])=O

InChI

InChI=1S/C14H11ClN4O3/c1-7-3-4-9(5-8(7)2)16-11-6-10(15)12-13(18-22-17-12)14(11)19(20)21/h3-6,16H,1-2H3

InChI Key

JVCKWHYGSORGPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00576751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.72

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

5.665

Distribution Coefficient, logD

5.665

Water Solubility, LogSw

-6.06

Polar Surface Area

78.093

Acid Dissociation Constant (pKa)

13.50

Base Dissociation Constant (pKb)

-5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

4061-0013 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4061-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4061-0013?
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What is the minimum amount of 4061-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4061-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4061-0013
  • 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 4061-0013 available by request