S291-0136 Screening compound: 1-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}pyrrolidin-2-one

S291-0136 Screening compound: 1-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}pyrrolidin-2-one
S291-0136 Screening compound: 1-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S291-0136
1-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}pyrrolidin-2-one

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

S291-0136

Molecular Formula

C13H12ClN3O2 (C13 H12 ClN3 O2)

Compound Name

1-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}pyrrolidin-2-one

IUPAC name

1-{[5-(3-chlorophenyl)-124-oxadiazol-3-yl]methyl}pyrrolidin-2-one

SMILES

O=C1N(Cc2noc(-c3cccc(Cl)c3)n2)CCC1

InChI

InChI=1S/C13H12ClN3O2/c14-10-4-1-3-9(7-10)13-15-11(16-19-13)8-17-6-2-5-12(17)18/h1,3-4,7H,2,5-6,8H2

InChI Key

XOKCOPBBHIXTLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22387657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.71

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.851

Distribution Coefficient, logD

1.851

Water Solubility, LogSw

-2.74

Polar Surface Area

50.169

Acid Dissociation Constant (pKa)

16.30

Base Dissociation Constant (pKb)

-5.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

S291-0136 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S291-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S291-0136?
Check Price and Availability of S291-0136, 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 S291-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S291-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S291-0136
  • 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 S291-0136 available by request