Y031-7869 Screening compound: 2-bromo-N-methylbenzamide

Y031-7869 Screening compound: 2-bromo-N-methylbenzamide
Y031-7869 Screening compound: 2-bromo-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-7869
2-bromo-N-methylbenzamide

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

Y031-7869

Molecular Formula

C8H8BrNO (C8 H8 BrNO)

Compound Name

2-bromo-N-methylbenzamide

IUPAC name

2-bromo-N-methylbenzamide

SMILES

CNC(c(cccc1)c1Br)=O

InChI

InChI=1S/C8H8BrNO/c1-10-8(11)6-4-2-3-5-7(6)9/h2-5H,1H3,(H,10,11)

InChI Key

FKVCJQNPXXXZIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00099250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

214.06

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

1.419

Distribution Coefficient, logD

1.419

Water Solubility, LogSw

-2.11

Polar Surface Area

25.074

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

-2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

Y031-7869 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Crystallographic and 19F NMR fragment-libraries (624 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y031-7869 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-7869?
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What is the minimum amount of Y031-7869 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-7869
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-7869
  • 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 Y031-7869 available by request