Y030-8127 Screening compound: N-(4-carbamoylphenyl)-3-chloro-1-benzothiophene-2-carboxamide

Y030-8127 Screening compound: N-(4-carbamoylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
Y030-8127 Screening compound: N-(4-carbamoylphenyl)-3-chloro-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-8127
N-(4-carbamoylphenyl)-3-chloro-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

Y030-8127

Molecular Formula

C16H11ClN2O2S (C16 H11 ClN2 O2 S)

Compound Name

N-(4-carbamoylphenyl)-3-chloro-1-benzothiophene-2-carboxamide

IUPAC name

N-(4-carbamoylphenyl)-3-chloro-1-benzothiophene-2-carboxamide

SMILES

NC(c(cc1)ccc1NC(c(sc1c2cccc1)c2Cl)=O)=O

InChI

InChI=1S/C16H11ClN2O2S/c17-13-11-3-1-2-4-12(11)22-14(13)16(21)19-10-7-5-9(6-8-10)15(18)20/h1-8H,(H2,18,20)(H,19,21)

InChI Key

SPUFVVWENJCCRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01244449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.79

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.317

Distribution Coefficient, logD

3.300

Water Solubility, LogSw

-3.92

Polar Surface Area

58.135

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

Y030-8127 in Drug Discovery

Included in Screening Libraries

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 Y030-8127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-8127?
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What is the minimum amount of Y030-8127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-8127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-8127
  • 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 Y030-8127 available by request