P888-0149 Screening compound: 4-(azepane-1-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one

P888-0149 Screening compound: 4-(azepane-1-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one
P888-0149 Screening compound: 4-(azepane-1-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P888-0149
4-(azepane-1-carbonyl)-1-(2-phenylethyl)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

P888-0149

Molecular Formula

C19H26N2O2 (C19 H26 N2 O2)

Compound Name

4-(azepane-1-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one

IUPAC name

4-(azepane-1-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one

SMILES

O=C(C(C1)CN(CCc2ccccc2)C1=O)N1CCCCCC1

InChI

InChI=1S/C19H26N2O2/c22-18-14-17(19(23)20-11-6-1-2-7-12-20)15-21(18)13-10-16-8-4-3-5-9-16/h3-5,8-9,17H,1-2,6-7,10-15H2/t17-/m1/s1

InChI Key

HIVINYXZHHACQG-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD27615895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.145

Distribution Coefficient, logD

2.145

Water Solubility, LogSw

-2.35

Polar Surface Area

34.392

Acid Dissociation Constant (pKa)

15.37

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

P888-0149 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 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:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P888-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P888-0149?
Check Price and Availability of P888-0149, 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 P888-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P888-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P888-0149
  • 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 P888-0149 available by request