8011-0471 Screening compound: 3-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione

8011-0471 Screening compound: 3-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione
8011-0471 Screening compound: 3-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-0471
3-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-1-[4-(trifluoromethoxy)phenyl]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

8011-0471

Molecular Formula

C22H21ClF3N3O3 (C22 H21 ClF3 N3 O3)

Compound Name

3-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione

IUPAC name

3-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-25-dione

SMILES

O=C(CC(C1=O)N2CCN(Cc(cc3)ccc3Cl)CC2)N1c(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C22H21ClF3N3O3/c23-16-3-1-15(2-4-16)14-27-9-11-28(12-10-27)19-13-20(30)29(21(19)31)17-5-7-18(8-6-17)32-22(24,25)26/h1-8,19H,9-14H2/t19-/m0/s1

InChI Key

YZOKDNPLBRUGAI-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02647637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.324

Distribution Coefficient, logD

3.313

Water Solubility, LogSw

-3.74

Polar Surface Area

41.465

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

5.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

8011-0471 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 8011-0471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-0471?
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What is the minimum amount of 8011-0471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-0471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-0471
  • 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 8011-0471 available by request