1682-9979 Screening compound: ethyl 2-[2-(2,4-dichlorophenoxy)propanamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

1682-9979 Screening compound: ethyl 2-[2-(2,4-dichlorophenoxy)propanamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
1682-9979 Screening compound: ethyl 2-[2-(2,4-dichlorophenoxy)propanamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-9979
ethyl 2-[2-(2,4-dichlorophenoxy)propanamido]-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

1682-9979

Molecular Formula

C19H19Cl2NO4S (C19 H19 Cl2 NO4 S)

Compound Name

ethyl 2-[2-(2,4-dichlorophenoxy)propanamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-[2-(24-dichlorophenoxy)propanamido]-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(C)Oc(ccc(Cl)c2)c2Cl)=O)sc2c1CCC2)=O

InChI

InChI=1S/C19H19Cl2NO4S/c1-3-25-19(24)16-12-5-4-6-15(12)27-18(16)22-17(23)10(2)26-14-8-7-11(20)9-13(14)21/h7-10H,3-6H2,1-2H3,(H,22,23)/t10-/m0/s1

InChI Key

CCFBUWHMLIIGAS-JTQLQIEISA-N

MDL Number (MFCD)

MFCD01032959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.405

Distribution Coefficient, logD

2.951

Water Solubility, LogSw

-6.15

Polar Surface Area

51.040

Acid Dissociation Constant (pKa)

4.95

Base Dissociation Constant (pKb)

-5.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

1682-9979 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 1682-9979 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-9979?
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What is the minimum amount of 1682-9979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-9979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-9979
  • 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 1682-9979 available by request