Y031-9609 Screening compound: N-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide

Y031-9609 Screening compound: N-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide
Y031-9609 Screening compound: N-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-9609
N-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide

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

Y031-9609

Molecular Formula

C15H13ClN2O3 (C15 H13 ClN2 O3)

Compound Name

N-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide

IUPAC name

N-(2-chloro-5-nitrophenyl)-34-dimethylbenzamide

SMILES

Cc(cc1)c(C)cc1C(Nc(cc(cc1)[N+]([O-])=O)c1Cl)=O

InChI

InChI=1S/C15H13ClN2O3/c1-9-3-4-11(7-10(9)2)15(19)17-14-8-12(18(20)21)5-6-13(14)16/h3-8H,1-2H3,(H,17,19)

InChI Key

LPADFNUVAQBAIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01215932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.73

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.401

Distribution Coefficient, logD

3.047

Water Solubility, LogSw

-4.62

Polar Surface Area

56.013

Acid Dissociation Constant (pKa)

6.07

Base Dissociation Constant (pKb)

-4.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

Y031-9609 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y031-9609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-9609?
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What is the minimum amount of Y031-9609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-9609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-9609
  • 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 Y031-9609 available by request