L472-1316 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole

L472-1316 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
L472-1316 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound L472-1316
5-(2H-1,3-benzodioxol-5-yl)-3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole

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

L472-1316

Molecular Formula

C21H15N3O3S (C21 H15 N3 O3 S)

Compound Name

5-(2H-1,3-benzodioxol-5-yl)-3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole

IUPAC name

5-(2H-13-benzodioxol-5-yl)-3-[4-(2-cyclopropyl-13-thiazol-4-yl)phenyl]-124-oxadiazole

SMILES

C(C1)C1c1nc(-c(cc2)ccc2-c2noc(-c(cc3)cc4c3OCO4)n2)cs1

InChI

InChI=1S/C21H15N3O3S/c1-3-13(4-2-12(1)16-10-28-21(22-16)14-5-6-14)19-23-20(27-24-19)15-7-8-17-18(9-15)26-11-25-17/h1-4,7-10,14H,5-6,11H2

InChI Key

DDDUYKSHPZVSCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27455087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.844

Distribution Coefficient, logD

5.844

Water Solubility, LogSw

-6.15

Polar Surface Area

58.745

Acid Dissociation Constant (pKa)

23.73

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

L472-1316 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L472-1316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L472-1316?
Check Price and Availability of L472-1316, 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 L472-1316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L472-1316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L472-1316
  • 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 L472-1316 available by request