D399-3718 Screening compound: 2-(2-chlorophenyl)-N-cyclohexylpyrrolidine-1-carboxamide

D399-3718 Screening compound: 2-(2-chlorophenyl)-N-cyclohexylpyrrolidine-1-carboxamide
D399-3718 Screening compound: 2-(2-chlorophenyl)-N-cyclohexylpyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-3718
2-(2-chlorophenyl)-N-cyclohexylpyrrolidine-1-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

D399-3718

Molecular Formula

C17H23ClN2O (C17 H23 ClN2 O)

Compound Name

2-(2-chlorophenyl)-N-cyclohexylpyrrolidine-1-carboxamide

IUPAC name

2-(2-chlorophenyl)-N-cyclohexylpyrrolidine-1-carboxamide

SMILES

O=C(NC1CCCCC1)N(CCC1)C1c(cccc1)c1Cl

InChI

InChI=1S/C17H23ClN2O/c18-15-10-5-4-9-14(15)16-11-6-12-20(16)17(21)19-13-7-2-1-3-8-13/h4-5,9-10,13,16H,1-3,6-8,11-12H2,(H,19,21)/t16-/m0/s1

InChI Key

BDRIBTKTSGIWRO-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27583817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.84

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.410

Distribution Coefficient, logD

4.410

Water Solubility, LogSw

-4.40

Polar Surface Area

26.543

Acid Dissociation Constant (pKa)

17.84

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.80

D399-3718 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D399-3718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-3718?
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What is the minimum amount of D399-3718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-3718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-3718
  • 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 D399-3718 available by request