4358-3052 Screening compound: ethyl 2-[4-(4-tert-butylphenoxy)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

4358-3052 Screening compound: ethyl 2-[4-(4-tert-butylphenoxy)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
4358-3052 Screening compound: ethyl 2-[4-(4-tert-butylphenoxy)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-3052
ethyl 2-[4-(4-tert-butylphenoxy)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-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

4358-3052

Molecular Formula

C25H33NO4S (C25 H33 NO4 S)

Compound Name

ethyl 2-[4-(4-tert-butylphenoxy)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-[4-(4-tert-butylphenoxy)butanamido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CCCOc2ccc(C(C)(C)C)cc2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C25H33NO4S/c1-5-29-24(28)22-19-9-6-7-10-20(19)31-23(22)26-21(27)11-8-16-30-18-14-12-17(13-15-18)25(2,3)4/h12-15H,5-11,16H2,1-4H3,(H,26,27)

InChI Key

CBTNVKPTBXKJRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02367644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.61

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

6.178

Distribution Coefficient, logD

3.855

Water Solubility, LogSw

-5.54

Polar Surface Area

51.003

Acid Dissociation Constant (pKa)

5.08

Base Dissociation Constant (pKb)

-3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

4358-3052 in Drug Discovery

Included in Screening Libraries

Human Receptors Annotated Library (5376 compounds)

Lipid Metabolism Library (9174 compounds)

Selective Target Activity Profiling Library (14702 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 4358-3052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-3052?
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What is the minimum amount of 4358-3052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-3052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-3052
  • 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 4358-3052 available by request