K801-0468 Screening compound: N-(2,5-dimethoxyphenyl)-2-{[(3,4-dimethoxyphenyl)methyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

K801-0468 Screening compound: N-(2,5-dimethoxyphenyl)-2-{[(3,4-dimethoxyphenyl)methyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
K801-0468 Screening compound: N-(2,5-dimethoxyphenyl)-2-{[(3,4-dimethoxyphenyl)methyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K801-0468
N-(2,5-dimethoxyphenyl)-2-{[(3,4-dimethoxyphenyl)methyl]amino}-6-methyl-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

K801-0468

Molecular Formula

C27H32N2O5S (C27 H32 N2 O5 S)

Compound Name

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

IUPAC name

N-(25-dimethoxyphenyl)-2-{[(34-dimethoxyphenyl)methyl]amino}-6-methyl-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CC(CC1)Cc2c1c(C(Nc(cc(cc1)OC)c1OC)=O)c(NCc(cc1)cc(OC)c1OC)s2

InChI

InChI=1S/C27H32N2O5S/c1-16-6-9-19-24(12-16)35-27(28-15-17-7-10-22(33-4)23(13-17)34-5)25(19)26(30)29-20-14-18(31-2)8-11-21(20)32-3/h7-8,10-11,13-14,16,28H,6,9,12,15H2,1-5H3,(H,29,30)/t16-/m1/s1

InChI Key

GJQSJZUMUZGGAC-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD02938336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.193

Distribution Coefficient, logD

5.192

Water Solubility, LogSw

-5.26

Polar Surface Area

63.016

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

K801-0468 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K801-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K801-0468?
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What is the minimum amount of K801-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K801-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K801-0468
  • 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 K801-0468 available by request