4061-0082 Screening compound: N-(2,3-dimethylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine

4061-0082 Screening compound: N-(2,3-dimethylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine
4061-0082 Screening compound: N-(2,3-dimethylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4061-0082
N-(2,3-dimethylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-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

4061-0082

Molecular Formula

C14H12N4O3 (C14 H12 N4 O3)

Compound Name

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

IUPAC name

N-(23-dimethylphenyl)-7-nitro-213-benzoxadiazol-4-amine

SMILES

Cc1cccc(Nc(c2nonc22)ccc2[N+]([O-])=O)c1C

InChI

InChI=1S/C14H12N4O3/c1-8-4-3-5-10(9(8)2)15-11-6-7-12(18(19)20)14-13(11)16-21-17-14/h3-7,15H,1-2H3

InChI Key

JPRUQJWHRKVCRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01858530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.27

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

4.689

Distribution Coefficient, logD

4.689

Water Solubility, LogSw

-4.45

Polar Surface Area

77.696

Acid Dissociation Constant (pKa)

17.34

Base Dissociation Constant (pKb)

-5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

4061-0082 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4061-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4061-0082?
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What is the minimum amount of 4061-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4061-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4061-0082
  • 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 4061-0082 available by request