8006-4898 Screening compound: 1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

8006-4898 Screening compound: 1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
8006-4898 Screening compound: 1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4898
1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-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

8006-4898

Molecular Formula

C19H19FN2O2 (C19 H19 FN2 O2)

Compound Name

1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

SMILES

CCc(cc1)ccc1N(CC(C1)C(Nc(cc2)ccc2F)=O)C1=O

InChI

InChI=1S/C19H19FN2O2/c1-2-13-3-9-17(10-4-13)22-12-14(11-18(22)23)19(24)21-16-7-5-15(20)6-8-16/h3-10,14H,2,11-12H2,1H3,(H,21,24)/t14-/m0/s1

InChI Key

DFXQJHXGPXICEB-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00712709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.37

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

3.218

Distribution Coefficient, logD

3.215

Water Solubility, LogSw

-3.27

Polar Surface Area

40.080

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

8006-4898 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8006-4898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4898?
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What is the minimum amount of 8006-4898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4898
  • 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 8006-4898 available by request