K786-1953 Screening compound: 4-[(4-chlorophenyl)sulfanyl]-N-cyclooctyl-3-acetamidobenzamide

K786-1953 Screening compound: 4-[(4-chlorophenyl)sulfanyl]-N-cyclooctyl-3-acetamidobenzamide
K786-1953 Screening compound: 4-[(4-chlorophenyl)sulfanyl]-N-cyclooctyl-3-acetamidobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-1953
4-[(4-chlorophenyl)sulfanyl]-N-cyclooctyl-3-acetamidobenzamide

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

K786-1953

Molecular Formula

C23H27ClN2O2S (C23 H27 ClN2 O2 S)

Compound Name

4-[(4-chlorophenyl)sulfanyl]-N-cyclooctyl-3-acetamidobenzamide

IUPAC name

4-[(4-chlorophenyl)sulfanyl]-N-cyclooctyl-3-acetamidobenzamide

SMILES

CC(Nc(cc(cc1)C(NC2CCCCCCC2)=O)c1Sc(cc1)ccc1Cl)=O

InChI

InChI=1S/C23H27ClN2O2S/c1-16(27)25-21-15-17(23(28)26-19-7-5-3-2-4-6-8-19)9-14-22(21)29-20-12-10-18(24)11-13-20/h9-15,19H,2-8H2,1H3,(H,25,27)(H,26,28)

InChI Key

GCSZXNFTNPWZAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.920

Distribution Coefficient, logD

5.920

Water Solubility, LogSw

-6.10

Polar Surface Area

47.001

Acid Dissociation Constant (pKa)

13.58

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with K786-1953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-1953?
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What is the minimum amount of K786-1953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-1953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-1953
  • 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 K786-1953 available by request