D399-1517 Screening compound: 1-[(2,4-dimethylphenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine

D399-1517 Screening compound: 1-[(2,4-dimethylphenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine
D399-1517 Screening compound: 1-[(2,4-dimethylphenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-1517
1-[(2,4-dimethylphenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine

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

D399-1517

Molecular Formula

C20H25NO (C20 H25 NO)

Compound Name

1-[(2,4-dimethylphenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine

IUPAC name

1-[(24-dimethylphenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine

SMILES

Cc1cc(C)c(CN(CCC2)C2c(cc2)ccc2OC)cc1

InChI

InChI=1S/C20H25NO/c1-15-6-7-18(16(2)13-15)14-21-12-4-5-20(21)17-8-10-19(22-3)11-9-17/h6-11,13,20H,4-5,12,14H2,1-3H3/t20-/m0/s1

InChI Key

YGOXIQVVIBWJPQ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14826563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.742

Distribution Coefficient, logD

4.256

Water Solubility, LogSw

-4.47

Polar Surface Area

11.469

Acid Dissociation Constant (pKa)

24.78

Base Dissociation Constant (pKb)

7.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

D399-1517 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D399-1517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-1517?
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What is the minimum amount of D399-1517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-1517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-1517
  • 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 D399-1517 available by request