2169-0061 Screening compound: ethyl 2-(2-phenylacetamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

2169-0061 Screening compound: ethyl 2-(2-phenylacetamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate
2169-0061 Screening compound: ethyl 2-(2-phenylacetamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2169-0061
ethyl 2-(2-phenylacetamido)-4H,5H,6H,7H,8H-cyclohepta[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

2169-0061

Molecular Formula

C20H23NO3S (C20 H23 NO3 S)

Compound Name

ethyl 2-(2-phenylacetamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-(2-phenylacetamido)-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(Cc2ccccc2)=O)sc2c1CCCCC2)=O

InChI

InChI=1S/C20H23NO3S/c1-2-24-20(23)18-15-11-7-4-8-12-16(15)25-19(18)21-17(22)13-14-9-5-3-6-10-14/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3,(H,21,22)

InChI Key

FGHHIVDCGBVBMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00782623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.497

Distribution Coefficient, logD

1.748

Water Solubility, LogSw

-4.49

Polar Surface Area

43.916

Acid Dissociation Constant (pKa)

4.65

Base Dissociation Constant (pKb)

-3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

2169-0061 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2169-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2169-0061?
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What is the minimum amount of 2169-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2169-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2169-0061
  • 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 2169-0061 available by request