K801-0346 Screening compound: 2-{[(2,5-dimethoxyphenyl)methyl]amino}-N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

K801-0346 Screening compound: 2-{[(2,5-dimethoxyphenyl)methyl]amino}-N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
K801-0346 Screening compound: 2-{[(2,5-dimethoxyphenyl)methyl]amino}-N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K801-0346
2-{[(2,5-dimethoxyphenyl)methyl]amino}-N-(4-methoxyphenyl)-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

K801-0346

Molecular Formula

C25H28N2O4S (C25 H28 N2 O4 S)

Compound Name

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

IUPAC name

2-{[(25-dimethoxyphenyl)methyl]amino}-N-(4-methoxyphenyl)-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

COc(cc1)ccc1NC(c1c(NCc(cc(cc2)OC)c2OC)sc2c1CCCC2)=O

InChI

InChI=1S/C25H28N2O4S/c1-29-18-10-8-17(9-11-18)27-24(28)23-20-6-4-5-7-22(20)32-25(23)26-15-16-14-19(30-2)12-13-21(16)31-3/h8-14,26H,4-7,15H2,1-3H3,(H,27,28)

InChI Key

FVYYGWSFUXOTKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03452311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.445

Distribution Coefficient, logD

5.445

Water Solubility, LogSw

-5.49

Polar Surface Area

55.997

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

K801-0346 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 K801-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K801-0346?
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What is the minimum amount of K801-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K801-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K801-0346
  • 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 K801-0346 available by request