L950-0537 Screening compound: 3-(3-fluorophenyl)-5-[1-(4-propylbenzenesulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazole

L950-0537 Screening compound: 3-(3-fluorophenyl)-5-[1-(4-propylbenzenesulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
L950-0537 Screening compound: 3-(3-fluorophenyl)-5-[1-(4-propylbenzenesulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound L950-0537
3-(3-fluorophenyl)-5-[1-(4-propylbenzenesulfonyl)pyrrolidin-2-yl]-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

L950-0537

Molecular Formula

C21H22FN3O3S (C21 H22 FN3 O3 S)

Compound Name

3-(3-fluorophenyl)-5-[1-(4-propylbenzenesulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazole

IUPAC name

3-(3-fluorophenyl)-5-[1-(4-propylbenzenesulfonyl)pyrrolidin-2-yl]-124-oxadiazole

SMILES

CCCc(cc1)ccc1S(N(CCC1)C1c1nc(-c2cc(F)ccc2)no1)(=O)=O

InChI

InChI=1S/C21H22FN3O3S/c1-2-5-15-9-11-18(12-10-15)29(26,27)25-13-4-8-19(25)21-23-20(24-28-21)16-6-3-7-17(22)14-16/h3,6-7,9-12,14,19H,2,4-5,8,13H2,1H3/t19-/m0/s1

InChI Key

ZPLBUXFMLPMXNG-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27489539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.564

Distribution Coefficient, logD

5.564

Water Solubility, LogSw

-5.50

Polar Surface Area

64.192

Acid Dissociation Constant (pKa)

26.45

Base Dissociation Constant (pKb)

-3.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

L950-0537 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L950-0537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L950-0537?
Check Price and Availability of L950-0537, 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 L950-0537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L950-0537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L950-0537
  • 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 L950-0537 available by request