J011-0292 Screening compound: 2-(4-chloro-3-methylphenoxy)-N-[(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]acetamide

J011-0292 Screening compound: 2-(4-chloro-3-methylphenoxy)-N-[(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]acetamide
J011-0292 Screening compound: 2-(4-chloro-3-methylphenoxy)-N-[(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J011-0292
2-(4-chloro-3-methylphenoxy)-N-[(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]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

J011-0292

Molecular Formula

C20H18ClN5O2S (C20 H18 ClN5 O2 S)

Compound Name

2-(4-chloro-3-methylphenoxy)-N-[(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]acetamide

IUPAC name

2-(4-chloro-3-methylphenoxy)-N-[(4-{3-methyl-[124]triazolo[34-b][134]thiadiazol-6-yl}phenyl)methyl]acetamide

SMILES

Cc1nnc2sc(-c3ccc(CNC(COc(cc4)cc(C)c4Cl)=O)cc3)nn12

InChI

InChI=1S/C20H18ClN5O2S/c1-12-9-16(7-8-17(12)21)28-11-18(27)22-10-14-3-5-15(6-4-14)19-25-26-13(2)23-24-20(26)29-19/h3-9H,10-11H2,1-2H3,(H,22,27)

InChI Key

PYEMCMNDLXRIBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12130031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.341

Distribution Coefficient, logD

3.341

Water Solubility, LogSw

-3.65

Polar Surface Area

66.469

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

J011-0292 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J011-0292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J011-0292?
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What is the minimum amount of J011-0292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J011-0292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J011-0292
  • 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 J011-0292 available by request