8018-3709 Screening compound: N~3~-(3-chloro-4-fluorophenyl)-1-methyl-5-oxo-3-pyrrolidinecarboxamide

8018-3709 Screening compound: N~3~-(3-chloro-4-fluorophenyl)-1-methyl-5-oxo-3-pyrrolidinecarboxamide
8018-3709 Screening compound: N~3~-(3-chloro-4-fluorophenyl)-1-methyl-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3709
N~3~-(3-chloro-4-fluorophenyl)-1-methyl-5-oxo-3-pyrrolidinecarboxamide

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

8018-3709

Molecular Formula

C12H12ClFN2O2 (C12 H12 ClFN2 O2)

Compound Name

N~3~-(3-chloro-4-fluorophenyl)-1-methyl-5-oxo-3-pyrrolidinecarboxamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

SMILES

CN(CC(C1)C(Nc(cc2)cc(Cl)c2F)=O)C1=O

InChI

InChI=1S/C12H12ClFN2O2/c1-16-6-7(4-11(16)17)12(18)15-8-2-3-10(14)9(13)5-8/h2-3,5,7H,4,6H2,1H3,(H,15,18)/t7-/m0/s1

InChI Key

IDAJIKLPFGRPLS-ZETCQYMHSA-N

MDL Number (MFCD)

MFCD07397357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.69

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.113

Distribution Coefficient, logD

1.056

Water Solubility, LogSw

-2.75

Polar Surface Area

40.512

Acid Dissociation Constant (pKa)

8.25

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

8018-3709 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 8018-3709 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3709?
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What is the minimum amount of 8018-3709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3709
  • 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 8018-3709 available by request