L472-1245 Screening compound: N-({3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4-fluorobenzene-1-sulfonamide

L472-1245 Screening compound: N-({3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4-fluorobenzene-1-sulfonamide
L472-1245 Screening compound: N-({3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4-fluorobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L472-1245
N-({3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4-fluorobenzene-1-sulfonamide

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

L472-1245

Molecular Formula

C21H17FN4O3S2 (C21 H17 FN4 O3 S2)

Compound Name

N-({3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4-fluorobenzene-1-sulfonamide

IUPAC name

N-({3-[4-(2-cyclopropyl-13-thiazol-4-yl)phenyl]-124-oxadiazol-5-yl}methyl)-4-fluorobenzene-1-sulfonamide

SMILES

O=S(c(cc1)ccc1F)(NCc1nc(-c(cc2)ccc2-c2csc(C3CC3)n2)no1)=O

InChI

InChI=1S/C21H17FN4O3S2/c22-16-7-9-17(10-8-16)31(27,28)23-11-19-25-20(26-29-19)14-3-1-13(2-4-14)18-12-30-21(24-18)15-5-6-15/h1-4,7-10,12,15,23H,5-6,11H2

InChI Key

GKVMSEJIUJOSSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27455051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.250

Distribution Coefficient, logD

5.178

Water Solubility, LogSw

-5.61

Polar Surface Area

83.325

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

L472-1245 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L472-1245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L472-1245?
Check Price and Availability of L472-1245, 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 L472-1245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L472-1245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L472-1245
  • 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 L472-1245 available by request