5593-1435 Screening compound: 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-(3-chloro-4-methylphenyl)pyrrolidine-2,5-dione

5593-1435 Screening compound: 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-(3-chloro-4-methylphenyl)pyrrolidine-2,5-dione
5593-1435 Screening compound: 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-(3-chloro-4-methylphenyl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5593-1435
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-(3-chloro-4-methylphenyl)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

5593-1435

Molecular Formula

C23H24ClN3O4 (C23 H24 ClN3 O4)

Compound Name

3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-(3-chloro-4-methylphenyl)pyrrolidine-2,5-dione

IUPAC name

3-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-(3-chloro-4-methylphenyl)pyrrolidine-25-dione

SMILES

Cc(ccc(N(C(CC1N2CCN(Cc(cc3)cc4c3OCO4)CC2)=O)C1=O)c1)c1Cl

InChI

InChI=1S/C23H24ClN3O4/c1-15-2-4-17(11-18(15)24)27-22(28)12-19(23(27)29)26-8-6-25(7-9-26)13-16-3-5-20-21(10-16)31-14-30-20/h2-5,10-11,19H,6-9,12-14H2,1H3/t19-/m1/s1

InChI Key

FESAVINAIRTZJW-LJQANCHMSA-N

MDL Number (MFCD)

MFCD01830015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.664

Distribution Coefficient, logD

2.284

Water Solubility, LogSw

-3.24

Polar Surface Area

52.644

Acid Dissociation Constant (pKa)

16.60

Base Dissociation Constant (pKb)

7.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with 5593-1435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5593-1435?
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What is the minimum amount of 5593-1435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5593-1435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5593-1435
  • 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 5593-1435 available by request