J011-0462 Screening compound: 3,5-dimethyl-N-[(4-{3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]benzamide

J011-0462 Screening compound: 3,5-dimethyl-N-[(4-{3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]benzamide
J011-0462 Screening compound: 3,5-dimethyl-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 J011-0462
3,5-dimethyl-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

J011-0462

Molecular Formula

C22H23N5OS (C22 H23 N5 OS)

Compound Name

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

IUPAC name

35-dimethyl-N-[(4-{3-propyl-[124]triazolo[34-b][134]thiadiazol-6-yl}phenyl)methyl]benzamide

SMILES

CCCc1nnc2sc(-c3ccc(CNC(c4cc(C)cc(C)c4)=O)cc3)nn12

InChI

InChI=1S/C22H23N5OS/c1-4-5-19-24-25-22-27(19)26-21(29-22)17-8-6-16(7-9-17)13-23-20(28)18-11-14(2)10-15(3)12-18/h6-12H,4-5,13H2,1-3H3,(H,23,28)

InChI Key

KWUTYDIQUHFSIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11855555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.198

Distribution Coefficient, logD

4.198

Water Solubility, LogSw

-4.20

Polar Surface Area

59.383

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

J011-0462 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • 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 J011-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J011-0462?
Check Price and Availability of J011-0462, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J011-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J011-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J011-0462
  • 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 J011-0462 available by request