D399-1609 Screening compound: 1-[(3,5-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine

D399-1609 Screening compound: 1-[(3,5-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine
D399-1609 Screening compound: 1-[(3,5-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-1609
1-[(3,5-dimethoxyphenyl)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

D399-1609

Molecular Formula

C20H25NO3 (C20 H25 NO3)

Compound Name

1-[(3,5-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine

IUPAC name

1-[(35-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine

SMILES

COc1ccc(C2N(Cc3cc(OC)cc(OC)c3)CCC2)cc1

InChI

InChI=1S/C20H25NO3/c1-22-17-8-6-16(7-9-17)20-5-4-10-21(20)14-15-11-18(23-2)13-19(12-15)24-3/h6-9,11-13,20H,4-5,10,14H2,1-3H3/t20-/m0/s1

InChI Key

YLUSHJIZVNEBMG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14826581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.831

Distribution Coefficient, logD

0.948

Water Solubility, LogSw

-3.93

Polar Surface Area

26.556

Acid Dissociation Constant (pKa)

24.78

Base Dissociation Constant (pKb)

10.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

D399-1609 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D399-1609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-1609?
Check Price and Availability of D399-1609, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D399-1609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-1609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-1609
  • 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 D399-1609 available by request