K786-1979 Screening compound: N-{2-[benzyl(methyl)amino]ethyl}-4-[(4-chlorophenyl)sulfanyl]-3-acetamidobenzamide

K786-1979 Screening compound: N-{2-[benzyl(methyl)amino]ethyl}-4-[(4-chlorophenyl)sulfanyl]-3-acetamidobenzamide
K786-1979 Screening compound: N-{2-[benzyl(methyl)amino]ethyl}-4-[(4-chlorophenyl)sulfanyl]-3-acetamidobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-1979
N-{2-[benzyl(methyl)amino]ethyl}-4-[(4-chlorophenyl)sulfanyl]-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

K786-1979

Molecular Formula

C25H26ClN3O2S (C25 H26 ClN3 O2 S)

Compound Name

N-{2-[benzyl(methyl)amino]ethyl}-4-[(4-chlorophenyl)sulfanyl]-3-acetamidobenzamide

IUPAC name

N-{2-[benzyl(methyl)amino]ethyl}-4-[(4-chlorophenyl)sulfanyl]-3-acetamidobenzamide

SMILES

CC(Nc(cc(cc1)C(NCCN(C)Cc2ccccc2)=O)c1Sc(cc1)ccc1Cl)=O

InChI

InChI=1S/C25H26ClN3O2S/c1-18(30)28-23-16-20(8-13-24(23)32-22-11-9-21(26)10-12-22)25(31)27-14-15-29(2)17-19-6-4-3-5-7-19/h3-13,16H,14-15,17H2,1-2H3,(H,27,31)(H,28,30)

InChI Key

DKQKCSLGEWXUAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.02

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.300

Distribution Coefficient, logD

4.094

Water Solubility, LogSw

-4.58

Polar Surface Area

50.880

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

7.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with K786-1979 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-1979?
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What is the minimum amount of K786-1979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-1979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-1979
  • 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 K786-1979 available by request