D399-3006 Screening compound: N-(2,3-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide

D399-3006 Screening compound: N-(2,3-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
D399-3006 Screening compound: N-(2,3-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-3006
N-(2,3-dimethylphenyl)-2-(3-methylphenyl)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

D399-3006

Molecular Formula

C20H24N2O (C20 H24 N2 O)

Compound Name

N-(2,3-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide

IUPAC name

N-(23-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide

SMILES

Cc1cccc(C(CCC2)N2C(Nc2c(C)c(C)ccc2)=O)c1

InChI

InChI=1S/C20H24N2O/c1-14-7-4-9-17(13-14)19-11-6-12-22(19)20(23)21-18-10-5-8-15(2)16(18)3/h4-5,7-10,13,19H,6,11-12H2,1-3H3,(H,21,23)/t19-/m0/s1

InChI Key

CQRJMVVGHZCGSA-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27583694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.42

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

5.005

Distribution Coefficient, logD

5.005

Water Solubility, LogSw

-4.53

Polar Surface Area

24.798

Acid Dissociation Constant (pKa)

14.65

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

D399-3006 in Drug Discovery

Included in Screening Libraries

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

Anti-Aging Library (44940 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D399-3006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-3006?
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What is the minimum amount of D399-3006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-3006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-3006
  • 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 D399-3006 available by request