K781-1094 Screening compound: N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide

K781-1094 Screening compound: N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide
K781-1094 Screening compound: N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-1094
N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide

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

K781-1094

Molecular Formula

C17H16ClN3O2S (C17 H16 ClN3 O2 S)

Compound Name

N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide

IUPAC name

N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-1H-13-benzodiazol-2-yl)sulfanyl]acetamide

SMILES

Cc(ccc(NC(CSc1nc(ccc(OC)c2)c2[nH]1)=O)c1)c1Cl

InChI

InChI=1S/C17H16ClN3O2S/c1-10-3-4-11(7-13(10)18)19-16(22)9-24-17-20-14-6-5-12(23-2)8-15(14)21-17/h3-8H,9H2,1-2H3,(H,19,22)(H,20,21)

InChI Key

UIXREUICILLTJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02653019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.411

Distribution Coefficient, logD

4.403

Water Solubility, LogSw

-4.52

Polar Surface Area

48.673

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

5.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

K781-1094 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with K781-1094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1094?
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What is the minimum amount of K781-1094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1094
  • 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 K781-1094 available by request