K786-1976 Screening compound: 3-(acetylamino)-N~1~-allyl-4-[(4-chlorophenyl)sulfanyl]benzamide

K786-1976 Screening compound: 3-(acetylamino)-N~1~-allyl-4-[(4-chlorophenyl)sulfanyl]benzamide
K786-1976 Screening compound: 3-(acetylamino)-N~1~-allyl-4-[(4-chlorophenyl)sulfanyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-1976
3-(acetylamino)-N~1~-allyl-4-[(4-chlorophenyl)sulfanyl]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

K786-1976

Molecular Formula

C18H17ClN2O2S (C18 H17 ClN2 O2 S)

Compound Name

3-(acetylamino)-N~1~-allyl-4-[(4-chlorophenyl)sulfanyl]benzamide

IUPAC name

n/a

SMILES

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

InChI

InChI=1S/C18H17ClN2O2S/c1-3-10-20-18(23)13-4-9-17(16(11-13)21-12(2)22)24-15-7-5-14(19)6-8-15/h3-9,11H,1,10H2,2H3,(H,20,23)(H,21,22)

InChI Key

NVWSKUXHMZOPJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.425

Distribution Coefficient, logD

3.425

Water Solubility, LogSw

-3.87

Polar Surface Area

47.057

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

K786-1976 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with K786-1976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-1976?
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What is the minimum amount of K786-1976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-1976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-1976
  • 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 K786-1976 available by request