P888-0089 Screening compound: N-[(3-methylphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

P888-0089 Screening compound: N-[(3-methylphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
P888-0089 Screening compound: N-[(3-methylphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P888-0089
N-[(3-methylphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

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

P888-0089

Molecular Formula

C21H24N2O2 (C21 H24 N2 O2)

Compound Name

N-[(3-methylphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

IUPAC name

N-[(3-methylphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

SMILES

Cc1cccc(CNC(C(C2)CN(CCc3ccccc3)C2=O)=O)c1

InChI

InChI=1S/C21H24N2O2/c1-16-6-5-9-18(12-16)14-22-21(25)19-13-20(24)23(15-19)11-10-17-7-3-2-4-8-17/h2-9,12,19H,10-11,13-15H2,1H3,(H,22,25)/t19-/m1/s1

InChI Key

VHZRRKVLDXYQAF-LJQANCHMSA-N

MDL Number (MFCD)

MFCD27615884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.478

Distribution Coefficient, logD

2.478

Water Solubility, LogSw

-2.80

Polar Surface Area

41.826

Acid Dissociation Constant (pKa)

12.42

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

P888-0089 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P888-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P888-0089?
Check Price and Availability of P888-0089, 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 P888-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P888-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P888-0089
  • 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 P888-0089 available by request