Y030-8132 Screening compound: 3-chloro-N-(5-methyl-3-isoxazolyl)-1-benzothiophene-2-carboxamide

Y030-8132 Screening compound: 3-chloro-N-(5-methyl-3-isoxazolyl)-1-benzothiophene-2-carboxamide
Y030-8132 Screening compound: 3-chloro-N-(5-methyl-3-isoxazolyl)-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-8132
3-chloro-N-(5-methyl-3-isoxazolyl)-1-benzothiophene-2-carboxamide

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

Y030-8132

Molecular Formula

C13H9ClN2O2S (C13 H9 ClN2 O2 S)

Compound Name

3-chloro-N-(5-methyl-3-isoxazolyl)-1-benzothiophene-2-carboxamide

IUPAC name

3-chloro-N-(5-methyl-12-oxazol-3-yl)-1-benzothiophene-2-carboxamide

SMILES

Cc1cc(NC(c(sc2c3cccc2)c3Cl)=O)no1

InChI

InChI=1S/C13H9ClN2O2S/c1-7-6-10(16-18-7)15-13(17)12-11(14)8-4-2-3-5-9(8)19-12/h2-6H,1H3,(H,15,16,17)

InChI Key

PAOOPGXEPSTFDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00425808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.75

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.214

Distribution Coefficient, logD

3.618

Water Solubility, LogSw

-4.72

Polar Surface Area

45.872

Acid Dissociation Constant (pKa)

6.93

Base Dissociation Constant (pKb)

-2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

Y030-8132 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Proteases Annotated Library (2868 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 Y030-8132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-8132?
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What is the minimum amount of Y030-8132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-8132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-8132
  • 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 Y030-8132 available by request