D399-2885 Screening compound: 2-(4-chlorophenyl)-N-(2-ethylphenyl)pyrrolidine-1-carboxamide

D399-2885 Screening compound: 2-(4-chlorophenyl)-N-(2-ethylphenyl)pyrrolidine-1-carboxamide
D399-2885 Screening compound: 2-(4-chlorophenyl)-N-(2-ethylphenyl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-2885
2-(4-chlorophenyl)-N-(2-ethylphenyl)pyrrolidine-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

D399-2885

Molecular Formula

C19H21ClN2O (C19 H21 ClN2 O)

Compound Name

2-(4-chlorophenyl)-N-(2-ethylphenyl)pyrrolidine-1-carboxamide

IUPAC name

2-(4-chlorophenyl)-N-(2-ethylphenyl)pyrrolidine-1-carboxamide

SMILES

CCc(cccc1)c1NC(N(CCC1)C1c(cc1)ccc1Cl)=O

InChI

InChI=1S/C19H21ClN2O/c1-2-14-6-3-4-7-17(14)21-19(23)22-13-5-8-18(22)15-9-11-16(20)12-10-15/h3-4,6-7,9-12,18H,2,5,8,13H2,1H3,(H,21,23)/t18-/m0/s1

InChI Key

YTLPAHHKPZURJH-SFHVURJKSA-N

MDL Number (MFCD)

MFCD10702691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.84

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.929

Distribution Coefficient, logD

4.929

Water Solubility, LogSw

-5.07

Polar Surface Area

24.798

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

D399-2885 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D399-2885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-2885?
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What is the minimum amount of D399-2885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-2885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-2885
  • 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 D399-2885 available by request