Y030-8118 Screening compound: 3-chloro-N-(2-oxothiolan-3-yl)-1-benzothiophene-2-carboxamide

Y030-8118 Screening compound: 3-chloro-N-(2-oxothiolan-3-yl)-1-benzothiophene-2-carboxamide
Y030-8118 Screening compound: 3-chloro-N-(2-oxothiolan-3-yl)-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-8118
3-chloro-N-(2-oxothiolan-3-yl)-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

Y030-8118

Molecular Formula

C13H10ClNO2S2 (C13 H10 ClNO2 S2)

Compound Name

3-chloro-N-(2-oxothiolan-3-yl)-1-benzothiophene-2-carboxamide

IUPAC name

3-chloro-N-(2-oxothiolan-3-yl)-1-benzothiophene-2-carboxamide

SMILES

O=C(c(sc1c2cccc1)c2Cl)NC(CCS1)C1=O

InChI

InChI=1S/C13H10ClNO2S2/c14-10-7-3-1-2-4-9(7)19-11(10)12(16)15-8-5-6-18-13(8)17/h1-4,8H,5-6H2,(H,15,16)/t8-/m0/s1

InChI Key

FEZBSRYXIXYEHI-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD03638840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.073

Distribution Coefficient, logD

2.973

Water Solubility, LogSw

-3.75

Polar Surface Area

38.953

Acid Dissociation Constant (pKa)

7.99

Base Dissociation Constant (pKb)

-3.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

Y030-8118 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y030-8118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-8118?
Check Price and Availability of Y030-8118, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y030-8118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-8118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-8118
  • 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 Y030-8118 available by request