K781-5322 Screening compound: 2-[(3-chlorophenyl)sulfanyl]-N-(2,2-dimethoxyethyl)-5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamide

K781-5322 Screening compound: 2-[(3-chlorophenyl)sulfanyl]-N-(2,2-dimethoxyethyl)-5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamide
K781-5322 Screening compound: 2-[(3-chlorophenyl)sulfanyl]-N-(2,2-dimethoxyethyl)-5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-5322
2-[(3-chlorophenyl)sulfanyl]-N-(2,2-dimethoxyethyl)-5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamide

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

K781-5322

Molecular Formula

C24H31ClN2O5S2 (C24 H31 ClN2 O5 S2)

Compound Name

2-[(3-chlorophenyl)sulfanyl]-N-(2,2-dimethoxyethyl)-5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamide

IUPAC name

2-[(3-chlorophenyl)sulfanyl]-N-(22-dimethoxyethyl)-5-[(35-dimethylpiperidin-1-yl)sulfonyl]benzamide

SMILES

CC(CC(C)C1)CN1S(c(cc1)cc(C(NCC(OC)OC)=O)c1Sc1cccc(Cl)c1)(=O)=O

InChI

InChI=1S/C24H31ClN2O5S2/c1-16-10-17(2)15-27(14-16)34(29,30)20-8-9-22(33-19-7-5-6-18(25)11-19)21(12-20)24(28)26-13-23(31-3)32-4/h5-9,11-12,16-17,23H,10,13-15H2,1-4H3,(H,26,28)

InChI Key

AUARSCHVNWCPHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15094240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.11

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.902

Distribution Coefficient, logD

4.902

Water Solubility, LogSw

-4.82

Polar Surface Area

71.724

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

-4.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.80

References: we are preparing a list of scientific research reports with K781-5322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-5322?
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What is the minimum amount of K781-5322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-5322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-5322
  • 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 K781-5322 available by request