2174-0452 Screening compound: 1-(3,4-dichlorophenyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione

2174-0452 Screening compound: 1-(3,4-dichlorophenyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione
2174-0452 Screening compound: 1-(3,4-dichlorophenyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2174-0452
1-(3,4-dichlorophenyl)-3-[(3,5-dimethylphenyl)methyl]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

2174-0452

Molecular Formula

C19H17Cl2NO2 (C19 H17 Cl2 NO2)

Compound Name

1-(3,4-dichlorophenyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione

IUPAC name

1-(34-dichlorophenyl)-3-[(35-dimethylphenyl)methyl]pyrrolidine-25-dione

SMILES

Cc1cc(CC(CC(N2c(cc3)cc(Cl)c3Cl)=O)C2=O)cc(C)c1

InChI

InChI=1S/C19H17Cl2NO2/c1-11-5-12(2)7-13(6-11)8-14-9-18(23)22(19(14)24)15-3-4-16(20)17(21)10-15/h3-7,10,14H,8-9H2,1-2H3/t14-/m1/s1

InChI Key

XXBWSXOXCLJHPS-CQSZACIVSA-N

MDL Number (MFCD)

MFCD01190784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.267

Distribution Coefficient, logD

5.267

Water Solubility, LogSw

-5.86

Polar Surface Area

29.158

Acid Dissociation Constant (pKa)

16.25

Base Dissociation Constant (pKb)

-6.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

2174-0452 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 2174-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2174-0452?
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What is the minimum amount of 2174-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2174-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2174-0452
  • 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 2174-0452 available by request