P913-0029 Screening compound: 4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one

P913-0029 Screening compound: 4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one
P913-0029 Screening compound: 4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P913-0029
4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-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

P913-0029

Molecular Formula

C18H14FN3O2 (C18 H14 FN3 O2)

Compound Name

4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one

IUPAC name

4-[5-(2-fluorophenyl)-124-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one

SMILES

O=C(CC(C1)c2noc(-c(cccc3)c3F)n2)N1c1ccccc1

InChI

InChI=1S/C18H14FN3O2/c19-15-9-5-4-8-14(15)18-20-17(21-24-18)12-10-16(23)22(11-12)13-6-2-1-3-7-13/h1-9,12H,10-11H2/t12-/m0/s1

InChI Key

SAZXDBGKQQUSJN-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14226666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.33

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

3.187

Distribution Coefficient, logD

3.187

Water Solubility, LogSw

-3.53

Polar Surface Area

48.394

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

P913-0029 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with P913-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P913-0029?
Check Price and Availability of P913-0029, 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 P913-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P913-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P913-0029
  • 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 P913-0029 available by request