K801-0340 Screening compound: N-(2-methoxyphenyl)-2-{[(3-methylthiophen-2-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

K801-0340 Screening compound: N-(2-methoxyphenyl)-2-{[(3-methylthiophen-2-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
K801-0340 Screening compound: N-(2-methoxyphenyl)-2-{[(3-methylthiophen-2-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K801-0340
N-(2-methoxyphenyl)-2-{[(3-methylthiophen-2-yl)methyl]amino}-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

K801-0340

Molecular Formula

C22H24N2O2S2 (C22 H24 N2 O2 S2)

Compound Name

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

IUPAC name

N-(2-methoxyphenyl)-2-{[(3-methylthiophen-2-yl)methyl]amino}-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

Cc1c(CNc2c(C(Nc(cccc3)c3OC)=O)c(CCCC3)c3s2)scc1

InChI

InChI=1S/C22H24N2O2S2/c1-14-11-12-27-19(14)13-23-22-20(15-7-3-6-10-18(15)28-22)21(25)24-16-8-4-5-9-17(16)26-2/h4-5,8-9,11-12,23H,3,6-7,10,13H2,1-2H3,(H,24,25)

InChI Key

HHDXKOIIVWXOEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03452307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.58

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.721

Distribution Coefficient, logD

5.721

Water Solubility, LogSw

-5.49

Polar Surface Area

41.230

Acid Dissociation Constant (pKa)

10.92

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

K801-0340 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K801-0340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K801-0340?
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What is the minimum amount of K801-0340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K801-0340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K801-0340
  • 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 K801-0340 available by request