P314-0876 Screening compound: N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide

P314-0876 Screening compound: N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide
P314-0876 Screening compound: N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P314-0876
N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide

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

P314-0876

Molecular Formula

C18H14F4N2O2 (C18 H14 F4 N2 O2)

Compound Name

N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide

IUPAC name

N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide

SMILES

O=C(c1cc(C(F)(F)F)ccc1)NC(CCN1c(cc2)ccc2F)C1=O

InChI

InChI=1S/C18H14F4N2O2/c19-13-4-6-14(7-5-13)24-9-8-15(17(24)26)23-16(25)11-2-1-3-12(10-11)18(20,21)22/h1-7,10,15H,8-9H2,(H,23,25)/t15-/m1/s1

InChI Key

GEFUIVZSDBSXSO-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27571772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.32

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

3.133

Distribution Coefficient, logD

3.132

Water Solubility, LogSw

-3.35

Polar Surface Area

41.114

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

-2.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

P314-0876 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P314-0876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P314-0876?
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What is the minimum amount of P314-0876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P314-0876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P314-0876
  • 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 P314-0876 available by request