L829-0402 Screening compound: 4-{3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl}benzonitrile

L829-0402 Screening compound: 4-{3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl}benzonitrile
L829-0402 Screening compound: 4-{3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound L829-0402
4-{3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl}benzonitrile

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

L829-0402

Molecular Formula

C21H14N4OS (C21 H14 N4 OS)

Compound Name

4-{3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl}benzonitrile

IUPAC name

4-{3-[3-(2-cyclopropyl-13-thiazol-4-yl)phenyl]-124-oxadiazol-5-yl}benzonitrile

SMILES

N#Cc(cc1)ccc1-c1nc(-c2cccc(-c3csc(C4CC4)n3)c2)no1

InChI

InChI=1S/C21H14N4OS/c22-11-13-4-6-14(7-5-13)20-24-19(25-26-20)17-3-1-2-16(10-17)18-12-27-21(23-18)15-8-9-15/h1-7,10,12,15H,8-9H2

InChI Key

JZNQNNXEKCLGNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27478732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.592

Distribution Coefficient, logD

5.592

Water Solubility, LogSw

-6.15

Polar Surface Area

58.686

Acid Dissociation Constant (pKa)

23.73

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

L829-0402 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

CNS Targets (44014 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L829-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L829-0402?
Check Price and Availability of L829-0402, 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 L829-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L829-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L829-0402
  • 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 L829-0402 available by request