L472-1399 Screening compound: 4-{3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl}-3-fluorobenzonitrile

L472-1399 Screening compound: 4-{3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl}-3-fluorobenzonitrile
L472-1399 Screening compound: 4-{3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl}-3-fluorobenzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound L472-1399
4-{3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl}-3-fluorobenzonitrile

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

L472-1399

Molecular Formula

C21H13FN4OS (C21 H13 FN4 OS)

Compound Name

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

IUPAC name

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

SMILES

N#Cc(cc1)cc(F)c1-c1nc(-c(cc2)ccc2-c2csc(C3CC3)n2)no1

InChI

InChI=1S/C21H13FN4OS/c22-17-9-12(10-23)1-8-16(17)20-25-19(26-27-20)14-4-2-13(3-5-14)18-11-28-21(24-18)15-6-7-15/h1-5,8-9,11,15H,6-7H2

InChI Key

MMPWGXLDQDZDLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27455126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.42

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

5.911

Distribution Coefficient, logD

5.911

Water Solubility, LogSw

-6.14

Polar Surface Area

58.686

Acid Dissociation Constant (pKa)

23.73

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

L472-1399 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with L472-1399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L472-1399?
Check Price and Availability of L472-1399, 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 L472-1399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L472-1399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L472-1399
  • 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 L472-1399 available by request