P913-0187 Screening compound: 1-(4-methoxyphenyl)-4-(5-propyl-1,2,4-oxadiazol-3-yl)-2-pyrrolidinone

P913-0187 Screening compound: 1-(4-methoxyphenyl)-4-(5-propyl-1,2,4-oxadiazol-3-yl)-2-pyrrolidinone
P913-0187 Screening compound: 1-(4-methoxyphenyl)-4-(5-propyl-1,2,4-oxadiazol-3-yl)-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound P913-0187
1-(4-methoxyphenyl)-4-(5-propyl-1,2,4-oxadiazol-3-yl)-2-pyrrolidinone

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

P913-0187

Molecular Formula

C16H19N3O3 (C16 H19 N3 O3)

Compound Name

1-(4-methoxyphenyl)-4-(5-propyl-1,2,4-oxadiazol-3-yl)-2-pyrrolidinone

IUPAC name

1-(4-methoxyphenyl)-4-(5-propyl-124-oxadiazol-3-yl)pyrrolidin-2-one

SMILES

CCCc1nc(C(CC2=O)CN2c(cc2)ccc2OC)no1

InChI

InChI=1S/C16H19N3O3/c1-3-4-14-17-16(18-22-14)11-9-15(20)19(10-11)12-5-7-13(21-2)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3/t11-/m1/s1

InChI Key

LPNGGSJYLGTOOF-LLVKDONJSA-N

MDL Number (MFCD)

MFCD27616033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.888

Distribution Coefficient, logD

2.888

Water Solubility, LogSw

-2.98

Polar Surface Area

55.875

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

P913-0187 in Drug Discovery

Included in Screening Libraries

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

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P913-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P913-0187?
Check Price and Availability of P913-0187, 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 P913-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P913-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P913-0187
  • 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 P913-0187 available by request