4358-3053 Screening compound: ethyl 2-[4-(4-tert-butylphenoxy)butanamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

4358-3053 Screening compound: ethyl 2-[4-(4-tert-butylphenoxy)butanamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
4358-3053 Screening compound: ethyl 2-[4-(4-tert-butylphenoxy)butanamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-3053
ethyl 2-[4-(4-tert-butylphenoxy)butanamido]-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

4358-3053

Molecular Formula

C24H31NO4S (C24 H31 NO4 S)

Compound Name

ethyl 2-[4-(4-tert-butylphenoxy)butanamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-[4-(4-tert-butylphenoxy)butanamido]-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CCCOc2ccc(C(C)(C)C)cc2)=O)sc2c1CCC2)=O

InChI

InChI=1S/C24H31NO4S/c1-5-28-23(27)21-18-8-6-9-19(18)30-22(21)25-20(26)10-7-15-29-17-13-11-16(12-14-17)24(2,3)4/h11-14H,5-10,15H2,1-4H3,(H,25,26)

InChI Key

HHDBSYFCDXMFAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02367645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.768

Distribution Coefficient, logD

3.424

Water Solubility, LogSw

-5.54

Polar Surface Area

51.369

Acid Dissociation Constant (pKa)

5.06

Base Dissociation Constant (pKb)

-4.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

4358-3053 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 4358-3053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-3053?
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What is the minimum amount of 4358-3053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-3053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-3053
  • 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 4358-3053 available by request