8010-1398 Screening compound: N-(4-ethoxyphenyl)-2-(2-phenylacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

8010-1398 Screening compound: N-(4-ethoxyphenyl)-2-(2-phenylacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
8010-1398 Screening compound: N-(4-ethoxyphenyl)-2-(2-phenylacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-1398
N-(4-ethoxyphenyl)-2-(2-phenylacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-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

8010-1398

Molecular Formula

C25H26N2O3S (C25 H26 N2 O3 S)

Compound Name

N-(4-ethoxyphenyl)-2-(2-phenylacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

N-(4-ethoxyphenyl)-2-(2-phenylacetamido)-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CCOc(cc1)ccc1NC(c1c(NC(Cc2ccccc2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C25H26N2O3S/c1-2-30-19-14-12-18(13-15-19)26-24(29)23-20-10-6-7-11-21(20)31-25(23)27-22(28)16-17-8-4-3-5-9-17/h3-5,8-9,12-15H,2,6-7,10-11,16H2,1H3,(H,26,29)(H,27,28)

InChI Key

KFXDNMCCYIGLPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01176799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.273

Distribution Coefficient, logD

4.870

Water Solubility, LogSw

-5.20

Polar Surface Area

53.046

Acid Dissociation Constant (pKa)

7.22

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

8010-1398 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Lipid Metabolism Library (9174 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8010-1398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-1398?
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What is the minimum amount of 8010-1398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-1398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-1398
  • 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 8010-1398 available by request