D399-1037 Screening compound: 2-(4-chlorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidine

D399-1037 Screening compound: 2-(4-chlorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidine
D399-1037 Screening compound: 2-(4-chlorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-1037
2-(4-chlorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]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

D399-1037

Molecular Formula

C19H22ClNO2 (C19 H22 ClNO2)

Compound Name

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

IUPAC name

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

SMILES

COc1cc(CN(CCC2)C2c(cc2)ccc2Cl)cc(OC)c1

InChI

InChI=1S/C19H22ClNO2/c1-22-17-10-14(11-18(12-17)23-2)13-21-9-3-4-19(21)15-5-7-16(20)8-6-15/h5-8,10-12,19H,3-4,9,13H2,1-2H3/t19-/m0/s1

InChI Key

SLPFUYBSNWLTIB-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14826528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.84

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.443

Distribution Coefficient, logD

1.852

Water Solubility, LogSw

-4.87

Polar Surface Area

19.013

Acid Dissociation Constant (pKa)

24.32

Base Dissociation Constant (pKb)

9.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

D399-1037 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with D399-1037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-1037?
Check Price and Availability of D399-1037, 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 D399-1037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-1037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-1037
  • 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 D399-1037 available by request