5695-1244 Screening compound: ethyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

5695-1244 Screening compound: ethyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
5695-1244 Screening compound: ethyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5695-1244
ethyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

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

5695-1244

Molecular Formula

C19H18N2O3S3 (C19 H18 N2 O3 S3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H18N2O3S3/c1-2-24-18(23)16-11-6-5-9-13(11)26-17(16)21-15(22)10-25-19-20-12-7-3-4-8-14(12)27-19/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,21,22)

InChI Key

PBAOAACBWGGHDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00295303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.881

Distribution Coefficient, logD

2.836

Water Solubility, LogSw

-4.66

Polar Surface Area

53.032

Acid Dissociation Constant (pKa)

5.36

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

5695-1244 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5695-1244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5695-1244?
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What is the minimum amount of 5695-1244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5695-1244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5695-1244
  • 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 5695-1244 available by request