3130-0435 Screening compound: 1-(4-bromophenyl)-3-chloro-4-(4-phenylpiperazin-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione

3130-0435 Screening compound: 1-(4-bromophenyl)-3-chloro-4-(4-phenylpiperazin-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
3130-0435 Screening compound: 1-(4-bromophenyl)-3-chloro-4-(4-phenylpiperazin-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3130-0435
1-(4-bromophenyl)-3-chloro-4-(4-phenylpiperazin-1-yl)-2,5-dihydro-1H-pyrrole-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

3130-0435

Molecular Formula

C20H17BrClN3O2 (C20 H17 BrClN3 O2)

Compound Name

1-(4-bromophenyl)-3-chloro-4-(4-phenylpiperazin-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione

IUPAC name

1-(4-bromophenyl)-3-chloro-4-(4-phenylpiperazin-1-yl)-25-dihydro-1H-pyrrole-25-dione

SMILES

O=C(C(N(CC1)CCN1c1ccccc1)=C(C1=O)Cl)N1c(cc1)ccc1Br

InChI

InChI=1S/C20H17BrClN3O2/c21-14-6-8-16(9-7-14)25-19(26)17(22)18(20(25)27)24-12-10-23(11-13-24)15-4-2-1-3-5-15/h1-9H,10-13H2

InChI Key

SSMJLZNDZKQXQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02081649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.73

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.136

Distribution Coefficient, logD

4.135

Water Solubility, LogSw

-4.39

Polar Surface Area

35.782

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

-8.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 3130-0435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3130-0435?
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What is the minimum amount of 3130-0435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3130-0435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3130-0435
  • 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 3130-0435 available by request