8462-0097 Screening compound: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

8462-0097 Screening compound: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide
8462-0097 Screening compound: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8462-0097
2-[2-(1,3-benzothiazol-2-ylsulfanyl)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-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

8462-0097

Molecular Formula

C17H15N3O2S3 (C17 H15 N3 O2 S3)

Compound Name

2-[2-(1,3-benzothiazol-2-ylsulfanyl)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

IUPAC name

2-[2-(13-benzothiazol-2-ylsulfanyl)acetamido]-4H5H6H-cyclopenta[b]thiophene-3-carboxamide

SMILES

NC(c1c(NC(CSc2nc(cccc3)c3s2)=O)sc2c1CCC2)=O

InChI

InChI=1S/C17H15N3O2S3/c18-15(22)14-9-4-3-7-11(9)24-16(14)20-13(21)8-23-17-19-10-5-1-2-6-12(10)25-17/h1-2,5-6H,3-4,7-8H2,(H2,18,22)(H,20,21)

InChI Key

RJVVPVQRZDFTGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02157524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.736

Distribution Coefficient, logD

2.449

Water Solubility, LogSw

-3.23

Polar Surface Area

66.338

Acid Dissociation Constant (pKa)

7.43

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

8462-0097 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8462-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8462-0097?
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What is the minimum amount of 8462-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8462-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8462-0097
  • 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 8462-0097 available by request