8017-1835 Screening compound: 1-(4-chlorophenyl)-3-{4-[4-(4-fluorophenyl)piperazino]piperidino}dihydro-1H-pyrrole-2,5-dione

8017-1835 Screening compound: 1-(4-chlorophenyl)-3-{4-[4-(4-fluorophenyl)piperazino]piperidino}dihydro-1H-pyrrole-2,5-dione
8017-1835 Screening compound: 1-(4-chlorophenyl)-3-{4-[4-(4-fluorophenyl)piperazino]piperidino}dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1835
1-(4-chlorophenyl)-3-{4-[4-(4-fluorophenyl)piperazino]piperidino}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

8017-1835

Molecular Formula

C25H28ClFN4O2 (C25 H28 ClFN4 O2)

Compound Name

1-(4-chlorophenyl)-3-{4-[4-(4-fluorophenyl)piperazino]piperidino}dihydro-1H-pyrrole-2,5-dione

IUPAC name

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

SMILES

O=C(CC(C1=O)N(CC2)CCC2N(CC2)CCN2c(cc2)ccc2F)N1c(cc1)ccc1Cl

InChI

InChI=1S/C25H28ClFN4O2/c26-18-1-5-22(6-2-18)31-24(32)17-23(25(31)33)30-11-9-21(10-12-30)29-15-13-28(14-16-29)20-7-3-19(27)4-8-20/h1-8,21,23H,9-17H2/t23-/m1/s1

InChI Key

MAVOSKMDXGDCBF-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD06014736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.037

Distribution Coefficient, logD

2.782

Water Solubility, LogSw

-3.37

Polar Surface Area

38.342

Acid Dissociation Constant (pKa)

17.30

Base Dissociation Constant (pKb)

7.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

8017-1835 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-1835 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1835?
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What is the minimum amount of 8017-1835 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1835
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1835
  • 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 8017-1835 available by request