3448-5914 Screening compound: 1-(3-chlorophenyl)-3-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}pyrrolidine-2,5-dione

3448-5914 Screening compound: 1-(3-chlorophenyl)-3-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}pyrrolidine-2,5-dione
3448-5914 Screening compound: 1-(3-chlorophenyl)-3-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-5914
1-(3-chlorophenyl)-3-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}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

3448-5914

Molecular Formula

C27H25Cl2N3O2 (C27 H25 Cl2 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CC(C1=O)N(CC2)CCN2C(c2ccccc2)c(cc2)ccc2Cl)N1c1cccc(Cl)c1

InChI

InChI=1S/C27H25Cl2N3O2/c28-21-11-9-20(10-12-21)26(19-5-2-1-3-6-19)31-15-13-30(14-16-31)24-18-25(33)32(27(24)34)23-8-4-7-22(29)17-23/h1-12,17,24,26H,13-16,18H2

InChI Key

XYSSWJJXZFNWDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01975281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.712

Distribution Coefficient, logD

4.711

Water Solubility, LogSw

-5.23

Polar Surface Area

34.549

Acid Dissociation Constant (pKa)

16.60

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.90

3448-5914 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3448-5914 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-5914?
Check Price and Availability of 3448-5914, 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 3448-5914 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-5914
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-5914
  • 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 3448-5914 available by request