D178-0021 Screening compound: N'-(2-methylphenyl)-N-[(1-phenylcyclopentyl)methyl]ethanediamide

D178-0021 Screening compound: N'-(2-methylphenyl)-N-[(1-phenylcyclopentyl)methyl]ethanediamide
D178-0021 Screening compound: N'-(2-methylphenyl)-N-[(1-phenylcyclopentyl)methyl]ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D178-0021
N'-(2-methylphenyl)-N-[(1-phenylcyclopentyl)methyl]ethanediamide

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

D178-0021

Molecular Formula

C21H24N2O2 (C21 H24 N2 O2)

Compound Name

N'-(2-methylphenyl)-N-[(1-phenylcyclopentyl)methyl]ethanediamide

IUPAC name

N'-(2-methylphenyl)-N-[(1-phenylcyclopentyl)methyl]ethanediamide

SMILES

Cc(cccc1)c1NC(C(NCC1(CCCC1)c1ccccc1)=O)=O

InChI

InChI=1S/C21H24N2O2/c1-16-9-5-6-12-18(16)23-20(25)19(24)22-15-21(13-7-8-14-21)17-10-3-2-4-11-17/h2-6,9-12H,7-8,13-15H2,1H3,(H,22,24)(H,23,25)

InChI Key

RXDLNMOZGPEHGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.704

Distribution Coefficient, logD

3.559

Water Solubility, LogSw

-3.82

Polar Surface Area

47.603

Acid Dissociation Constant (pKa)

7.80

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D178-0021 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 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
  • 3D

References: we are preparing a list of scientific research reports with D178-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D178-0021?
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What is the minimum amount of D178-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D178-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D178-0021
  • 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 D178-0021 available by request