K801-0326 Screening compound: 2-({[4-(dimethylamino)phenyl]methyl}amino)-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

K801-0326 Screening compound: 2-({[4-(dimethylamino)phenyl]methyl}amino)-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
K801-0326 Screening compound: 2-({[4-(dimethylamino)phenyl]methyl}amino)-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K801-0326
2-({[4-(dimethylamino)phenyl]methyl}amino)-N-(2-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

K801-0326

Molecular Formula

C25H29N3O2S (C25 H29 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C)c1ccc(CNc2c(C(Nc(cccc3)c3OC)=O)c(CCCC3)c3s2)cc1

InChI

InChI=1S/C25H29N3O2S/c1-28(2)18-14-12-17(13-15-18)16-26-25-23(19-8-4-7-11-22(19)31-25)24(29)27-20-9-5-6-10-21(20)30-3/h5-6,9-10,12-15,26H,4,7-8,11,16H2,1-3H3,(H,27,29)

InChI Key

MKEYCAANPJIUBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03452299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.59

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.304

Distribution Coefficient, logD

5.288

Water Solubility, LogSw

-5.30

Polar Surface Area

43.016

Acid Dissociation Constant (pKa)

10.92

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with K801-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K801-0326?
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What is the minimum amount of K801-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K801-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K801-0326
  • 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 K801-0326 available by request