E612-0940 Screening compound: N-[(4-fluorophenyl)methyl]-4-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide

E612-0940 Screening compound: N-[(4-fluorophenyl)methyl]-4-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide
E612-0940 Screening compound: N-[(4-fluorophenyl)methyl]-4-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-0940
N-[(4-fluorophenyl)methyl]-4-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide

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

E612-0940

Molecular Formula

C21H23FN2O2 (C21 H23 FN2 O2)

Compound Name

N-[(4-fluorophenyl)methyl]-4-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide

IUPAC name

N-[(4-fluorophenyl)methyl]-4-methyl-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)pentanamide

SMILES

CC(C)CC(C(NCc(cc1)ccc1F)=O)N(Cc1c2cccc1)C2=O

InChI

InChI=1S/C21H23FN2O2/c1-14(2)11-19(20(25)23-12-15-7-9-17(22)10-8-15)24-13-16-5-3-4-6-18(16)21(24)26/h3-10,14,19H,11-13H2,1-2H3,(H,23,25)/t19-/m0/s1

InChI Key

RHBJKGLYIZVPLT-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14903584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.465

Distribution Coefficient, logD

3.465

Water Solubility, LogSw

-3.67

Polar Surface Area

40.661

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

E612-0940 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with E612-0940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-0940?
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What is the minimum amount of E612-0940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-0940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-0940
  • 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 E612-0940 available by request