P314-1095 Screening compound: N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-(thiophen-3-yl)acetamide

P314-1095 Screening compound: N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-(thiophen-3-yl)acetamide
P314-1095 Screening compound: N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-(thiophen-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P314-1095
N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-(thiophen-3-yl)acetamide

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

P314-1095

Molecular Formula

C18H20N2O2S (C18 H20 N2 O2 S)

Compound Name

N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-(thiophen-3-yl)acetamide

IUPAC name

N-[1-(35-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-(thiophen-3-yl)acetamide

SMILES

Cc1cc(N(CCC2NC(Cc3cscc3)=O)C2=O)cc(C)c1

InChI

InChI=1S/C18H20N2O2S/c1-12-7-13(2)9-15(8-12)20-5-3-16(18(20)22)19-17(21)10-14-4-6-23-11-14/h4,6-9,11,16H,3,5,10H2,1-2H3,(H,19,21)/t16-/m0/s1

InChI Key

WTXDAOGBBRNLJV-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27571850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.955

Distribution Coefficient, logD

2.954

Water Solubility, LogSw

-3.29

Polar Surface Area

41.919

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

P314-1095 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P314-1095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P314-1095?
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What is the minimum amount of P314-1095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P314-1095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P314-1095
  • 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 P314-1095 available by request