D398-0564 Screening compound: 2-(3-chlorophenyl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethan-1-one

D398-0564 Screening compound: 2-(3-chlorophenyl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethan-1-one
D398-0564 Screening compound: 2-(3-chlorophenyl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0564
2-(3-chlorophenyl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethan-1-one

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

D398-0564

Molecular Formula

C19H20ClNO2 (C19 H20 ClNO2)

Compound Name

2-(3-chlorophenyl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethan-1-one

IUPAC name

2-(3-chlorophenyl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethan-1-one

SMILES

COc1ccc(C(CCC2)N2C(Cc2cccc(Cl)c2)=O)cc1

InChI

InChI=1S/C19H20ClNO2/c1-23-17-9-7-15(8-10-17)18-6-3-11-21(18)19(22)13-14-4-2-5-16(20)12-14/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3/t18-/m0/s1

InChI Key

MZYUMWIGCPIPCC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD10703038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.83

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

4.065

Distribution Coefficient, logD

4.065

Water Solubility, LogSw

-4.64

Polar Surface Area

23.691

Acid Dissociation Constant (pKa)

17.82

Base Dissociation Constant (pKb)

-4.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

D398-0564 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D398-0564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0564?
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What is the minimum amount of D398-0564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0564
  • 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 D398-0564 available by request