K801-0358 Screening compound: 2-{[(2,3-dimethoxyphenyl)methyl]amino}-N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

K801-0358 Screening compound: 2-{[(2,3-dimethoxyphenyl)methyl]amino}-N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
K801-0358 Screening compound: 2-{[(2,3-dimethoxyphenyl)methyl]amino}-N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K801-0358
2-{[(2,3-dimethoxyphenyl)methyl]amino}-N-(4-ethoxyphenyl)-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

K801-0358

Molecular Formula

C26H30N2O4S (C26 H30 N2 O4 S)

Compound Name

2-{[(2,3-dimethoxyphenyl)methyl]amino}-N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

2-{[(23-dimethoxyphenyl)methyl]amino}-N-(4-ethoxyphenyl)-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CCOc(cc1)ccc1NC(c1c(NCc(cccc2OC)c2OC)sc2c1CCCC2)=O

InChI

InChI=1S/C26H30N2O4S/c1-4-32-19-14-12-18(13-15-19)28-25(29)23-20-9-5-6-11-22(20)33-26(23)27-16-17-8-7-10-21(30-2)24(17)31-3/h7-8,10,12-15,27H,4-6,9,11,16H2,1-3H3,(H,28,29)

InChI Key

APMWRQSQDBBYJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03452318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.772

Distribution Coefficient, logD

5.772

Water Solubility, LogSw

-5.49

Polar Surface Area

55.750

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

K801-0358 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with K801-0358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K801-0358?
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What is the minimum amount of K801-0358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K801-0358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K801-0358
  • 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 K801-0358 available by request