Y030-8135 Screening compound: 3-chloro-N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide

Y030-8135 Screening compound: 3-chloro-N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
Y030-8135 Screening compound: 3-chloro-N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-8135
3-chloro-N-(6-methanesulfonyl-1,3-benzothiazol-2-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

Y030-8135

Molecular Formula

C17H11ClN2O3S3 (C17 H11 ClN2 O3 S3)

Compound Name

3-chloro-N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide

IUPAC name

3-chloro-N-(6-methanesulfonyl-13-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide

SMILES

CS(c(cc1)cc2c1nc(NC(c(sc1c3cccc1)c3Cl)=O)s2)(=O)=O

InChI

InChI=1S/C17H11ClN2O3S3/c1-26(22,23)9-6-7-11-13(8-9)25-17(19-11)20-16(21)15-14(18)10-4-2-3-5-12(10)24-15/h2-8H,1H3,(H,19,20,21)

InChI Key

MPSDKENFQCNMTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01351752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.226

Distribution Coefficient, logD

4.217

Water Solubility, LogSw

-4.72

Polar Surface Area

63.587

Acid Dissociation Constant (pKa)

9.08

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

Y030-8135 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y030-8135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-8135?
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What is the minimum amount of Y030-8135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-8135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-8135
  • 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 Y030-8135 available by request