J057-0249 Screening compound: 2-[4-chloro-3-(pyrrolidine-1-sulfonyl)phenyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole

J057-0249 Screening compound: 2-[4-chloro-3-(pyrrolidine-1-sulfonyl)phenyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
J057-0249 Screening compound: 2-[4-chloro-3-(pyrrolidine-1-sulfonyl)phenyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound J057-0249
2-[4-chloro-3-(pyrrolidine-1-sulfonyl)phenyl]-5-(4-fluorophenyl)-1,3,4-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

J057-0249

Molecular Formula

C18H15ClFN3O3S (C18 H15 ClFN3 O3 S)

Compound Name

2-[4-chloro-3-(pyrrolidine-1-sulfonyl)phenyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole

IUPAC name

2-[4-chloro-3-(pyrrolidine-1-sulfonyl)phenyl]-5-(4-fluorophenyl)-134-oxadiazole

SMILES

O=S(c(cc(cc1)-c2nnc(-c(cc3)ccc3F)o2)c1Cl)(N1CCCC1)=O

InChI

InChI=1S/C18H15ClFN3O3S/c19-15-8-5-13(11-16(15)27(24,25)23-9-1-2-10-23)18-22-21-17(26-18)12-3-6-14(20)7-4-12/h3-8,11H,1-2,9-10H2

InChI Key

ITARWCJTPXSLPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.85

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.634

Distribution Coefficient, logD

3.634

Water Solubility, LogSw

-4.09

Polar Surface Area

62.559

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

-5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

J057-0249 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J057-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J057-0249?
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What is the minimum amount of J057-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J057-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J057-0249
  • 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 J057-0249 available by request