3448-6839 Screening compound: 3-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-1-(4-methoxyphenyl)pyrrolidine-2,5-dione

3448-6839 Screening compound: 3-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
3448-6839 Screening compound: 3-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-1-(4-methoxyphenyl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-6839
3-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-1-(4-methoxyphenyl)pyrrolidine-2,5-dione

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

3448-6839

Molecular Formula

C28H28ClN3O3 (C28 H28 ClN3 O3)

Compound Name

3-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-1-(4-methoxyphenyl)pyrrolidine-2,5-dione

IUPAC name

3-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-1-(4-methoxyphenyl)pyrrolidine-25-dione

SMILES

COc(cc1)ccc1N(C(CC1N(CC2)CCN2C(c2ccccc2)c(cc2)ccc2Cl)=O)C1=O

InChI

InChI=1S/C28H28ClN3O3/c1-35-24-13-11-23(12-14-24)32-26(33)19-25(28(32)34)30-15-17-31(18-16-30)27(20-5-3-2-4-6-20)21-7-9-22(29)10-8-21/h2-14,25,27H,15-19H2,1H3

InChI Key

YIDQOWMKMOMVDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02108393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.055

Distribution Coefficient, logD

4.054

Water Solubility, LogSw

-4.80

Polar Surface Area

42.093

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

3448-6839 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
Targets:
  • Kinases
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 3448-6839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-6839?
Check Price and Availability of 3448-6839, 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 3448-6839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-6839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-6839
  • 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 3448-6839 available by request