4491-0171 Screening compound: 2-[2-(2,4-dimethylphenoxy)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

4491-0171 Screening compound: 2-[2-(2,4-dimethylphenoxy)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide
4491-0171 Screening compound: 2-[2-(2,4-dimethylphenoxy)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-0171
2-[2-(2,4-dimethylphenoxy)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

4491-0171

Molecular Formula

C18H20N2O3S (C18 H20 N2 O3 S)

Compound Name

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

IUPAC name

2-[2-(24-dimethylphenoxy)acetamido]-4H5H6H-cyclopenta[b]thiophene-3-carboxamide

SMILES

Cc(cc1)cc(C)c1OCC(Nc1c(C(N)=O)c(CCC2)c2s1)=O

InChI

InChI=1S/C18H20N2O3S/c1-10-6-7-13(11(2)8-10)23-9-15(21)20-18-16(17(19)22)12-4-3-5-14(12)24-18/h6-8H,3-5,9H2,1-2H3,(H2,19,22)(H,20,21)

InChI Key

ZYGCLXGCXWSCPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02216663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.716

Distribution Coefficient, logD

2.346

Water Solubility, LogSw

-3.08

Polar Surface Area

64.842

Acid Dissociation Constant (pKa)

7.27

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4491-0171 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 4491-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-0171?
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What is the minimum amount of 4491-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-0171
  • 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 4491-0171 available by request