J011-0236 Screening compound: N-[(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]-1-benzofuran-2-carboxamide

J011-0236 Screening compound: N-[(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]-1-benzofuran-2-carboxamide
J011-0236 Screening compound: N-[(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J011-0236
N-[(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]-1-benzofuran-2-carboxamide

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

J011-0236

Molecular Formula

C20H15N5O2S (C20 H15 N5 O2 S)

Compound Name

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

IUPAC name

N-[(4-{3-methyl-[124]triazolo[34-b][134]thiadiazol-6-yl}phenyl)methyl]-1-benzofuran-2-carboxamide

SMILES

Cc1nnc2sc(-c3ccc(CNC(c4cc(cccc5)c5o4)=O)cc3)nn12

InChI

InChI=1S/C20H15N5O2S/c1-12-22-23-20-25(12)24-19(28-20)14-8-6-13(7-9-14)11-21-18(26)17-10-15-4-2-3-5-16(15)27-17/h2-10H,11H2,1H3,(H,21,26)

InChI Key

XNNYTYBGTLYUGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11694240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.010

Distribution Coefficient, logD

3.010

Water Solubility, LogSw

-3.52

Polar Surface Area

67.476

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

J011-0236 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 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
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J011-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J011-0236?
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What is the minimum amount of J011-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J011-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J011-0236
  • 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 J011-0236 available by request