8016-0024 Screening compound: 3-[4-(1H-1,3-benzimidazol-2-yl)piperidino]-1-[4-chloro-3-(trifluoromethyl)phenyl]dihydro-1H-pyrrole-2,5-dione

8016-0024 Screening compound: 3-[4-(1H-1,3-benzimidazol-2-yl)piperidino]-1-[4-chloro-3-(trifluoromethyl)phenyl]dihydro-1H-pyrrole-2,5-dione
8016-0024 Screening compound: 3-[4-(1H-1,3-benzimidazol-2-yl)piperidino]-1-[4-chloro-3-(trifluoromethyl)phenyl]dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0024
3-[4-(1H-1,3-benzimidazol-2-yl)piperidino]-1-[4-chloro-3-(trifluoromethyl)phenyl]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

8016-0024

Molecular Formula

C23H20ClF3N4O2 (C23 H20 ClF3 N4 O2)

Compound Name

3-[4-(1H-1,3-benzimidazol-2-yl)piperidino]-1-[4-chloro-3-(trifluoromethyl)phenyl]dihydro-1H-pyrrole-2,5-dione

IUPAC name

3-[4-(1H-13-benzodiazol-2-yl)piperidin-1-yl]-1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidine-25-dione

SMILES

O=C(CC(C1=O)N(CC2)CCC2c2nc(cccc3)c3[nH]2)N1c(cc1)cc(C(F)(F)F)c1Cl

InChI

InChI=1S/C23H20ClF3N4O2/c24-16-6-5-14(11-15(16)23(25,26)27)31-20(32)12-19(22(31)33)30-9-7-13(8-10-30)21-28-17-3-1-2-4-18(17)29-21/h1-6,11,13,19H,7-10,12H2,(H,28,29)/t19-/m1/s1

InChI Key

MXOYPWKNIFULLV-LJQANCHMSA-N

MDL Number (MFCD)

MFCD05259601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.432

Distribution Coefficient, logD

3.418

Water Solubility, LogSw

-4.02

Polar Surface Area

51.007

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.78

8016-0024 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Cysteine Proteases Inhibitors Library (7839 compounds)

PI3K-Targeted Library (17255 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with 8016-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0024?
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What is the minimum amount of 8016-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0024
  • 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 8016-0024 available by request