8015-5226 Screening compound: 3-[4-(1H-1,3-benzodiazol-2-yl)piperidin-1-yl]-1-(3-fluorophenyl)pyrrolidine-2,5-dione

8015-5226 Screening compound: 3-[4-(1H-1,3-benzodiazol-2-yl)piperidin-1-yl]-1-(3-fluorophenyl)pyrrolidine-2,5-dione
8015-5226 Screening compound: 3-[4-(1H-1,3-benzodiazol-2-yl)piperidin-1-yl]-1-(3-fluorophenyl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-5226
3-[4-(1H-1,3-benzodiazol-2-yl)piperidin-1-yl]-1-(3-fluorophenyl)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

8015-5226

Molecular Formula

C22H21FN4O2 (C22 H21 FN4 O2)

Compound Name

3-[4-(1H-1,3-benzodiazol-2-yl)piperidin-1-yl]-1-(3-fluorophenyl)pyrrolidine-2,5-dione

IUPAC name

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

SMILES

O=C(CC(C1=O)N(CC2)CCC2c2nc(cccc3)c3[nH]2)N1c1cccc(F)c1

InChI

InChI=1S/C22H21FN4O2/c23-15-4-3-5-16(12-15)27-20(28)13-19(22(27)29)26-10-8-14(9-11-26)21-24-17-6-1-2-7-18(17)25-21/h1-7,12,14,19H,8-11,13H2,(H,24,25)/t19-/m1/s1

InChI Key

MIUQBDWTWMBCCE-LJQANCHMSA-N

MDL Number (MFCD)

MFCD04061989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.066

Distribution Coefficient, logD

2.052

Water Solubility, LogSw

-2.72

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

31.80

8015-5226 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8015-5226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-5226?
Check Price and Availability of 8015-5226, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8015-5226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-5226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-5226
  • 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 8015-5226 available by request