J011-0517 Screening compound: 5-chloro-2-methoxy-N-[(4-{3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]benzamide

J011-0517 Screening compound: 5-chloro-2-methoxy-N-[(4-{3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]benzamide
J011-0517 Screening compound: 5-chloro-2-methoxy-N-[(4-{3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J011-0517
5-chloro-2-methoxy-N-[(4-{3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]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

J011-0517

Molecular Formula

C21H20ClN5O2S (C21 H20 ClN5 O2 S)

Compound Name

5-chloro-2-methoxy-N-[(4-{3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]benzamide

IUPAC name

5-chloro-2-methoxy-N-[(4-{3-propyl-[124]triazolo[34-b][134]thiadiazol-6-yl}phenyl)methyl]benzamide

SMILES

CCCc1nnc2sc(-c3ccc(CNC(c(cc(cc4)Cl)c4OC)=O)cc3)nn12

InChI

InChI=1S/C21H20ClN5O2S/c1-3-4-18-24-25-21-27(18)26-20(30-21)14-7-5-13(6-8-14)12-23-19(28)16-11-15(22)9-10-17(16)29-2/h5-11H,3-4,12H2,1-2H3,(H,23,28)

InChI Key

CRAJCCWESSRWBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27216648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.309

Distribution Coefficient, logD

4.306

Water Solubility, LogSw

-4.61

Polar Surface Area

67.013

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

J011-0517 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 J011-0517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J011-0517?
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What is the minimum amount of J011-0517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J011-0517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J011-0517
  • 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 J011-0517 available by request