8007-0628 Screening compound: 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione

8007-0628 Screening compound: 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
8007-0628 Screening compound: 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-0628
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-(3,5-dichlorophenyl)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

8007-0628

Molecular Formula

C22H21Cl2N3O4 (C22 H21 Cl2 N3 O4)

Compound Name

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

IUPAC name

3-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-(35-dichlorophenyl)pyrrolidine-25-dione

SMILES

O=C(CC(C1=O)N2CCN(Cc(cc3)cc4c3OCO4)CC2)N1c1cc(Cl)cc(Cl)c1

InChI

InChI=1S/C22H21Cl2N3O4/c23-15-8-16(24)10-17(9-15)27-21(28)11-18(22(27)29)26-5-3-25(4-6-26)12-14-1-2-19-20(7-14)31-13-30-19/h1-2,7-10,18H,3-6,11-13H2/t18-/m1/s1

InChI Key

IEYGGLGDRZBXRO-GOSISDBHSA-N

MDL Number (MFCD)

MFCD00759190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.33

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

2.777

Distribution Coefficient, logD

2.397

Water Solubility, LogSw

-3.39

Polar Surface Area

52.644

Acid Dissociation Constant (pKa)

16.21

Base Dissociation Constant (pKb)

7.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with 8007-0628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-0628?
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What is the minimum amount of 8007-0628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-0628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-0628
  • 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 8007-0628 available by request