8017-9015 Screening compound: 3-[4-(1,3-benzodioxol-5-ylamino)piperidino]-1-(4-fluorophenyl)dihydro-1H-pyrrole-2,5-dione

8017-9015 Screening compound: 3-[4-(1,3-benzodioxol-5-ylamino)piperidino]-1-(4-fluorophenyl)dihydro-1H-pyrrole-2,5-dione
8017-9015 Screening compound: 3-[4-(1,3-benzodioxol-5-ylamino)piperidino]-1-(4-fluorophenyl)dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9015
3-[4-(1,3-benzodioxol-5-ylamino)piperidino]-1-(4-fluorophenyl)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

8017-9015

Molecular Formula

C22H22FN3O4 (C22 H22 FN3 O4)

Compound Name

3-[4-(1,3-benzodioxol-5-ylamino)piperidino]-1-(4-fluorophenyl)dihydro-1H-pyrrole-2,5-dione

IUPAC name

3-{4-[(2H-13-benzodioxol-5-yl)amino]piperidin-1-yl}-1-(4-fluorophenyl)pyrrolidine-25-dione

SMILES

O=C(CC(C1=O)N(CC2)CCC2Nc(cc2)cc3c2OCO3)N1c(cc1)ccc1F

InChI

InChI=1S/C22H22FN3O4/c23-14-1-4-17(5-2-14)26-21(27)12-18(22(26)28)25-9-7-15(8-10-25)24-16-3-6-19-20(11-16)30-13-29-19/h1-6,11,15,18,24H,7-10,12-13H2/t18-/m1/s1

InChI Key

OBDLMZXQNHHWSC-GOSISDBHSA-N

MDL Number (MFCD)

MFCD06619053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.983

Distribution Coefficient, logD

1.970

Water Solubility, LogSw

-2.70

Polar Surface Area

58.871

Acid Dissociation Constant (pKa)

17.30

Base Dissociation Constant (pKb)

8.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

8017-9015 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 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
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8017-9015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9015?
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What is the minimum amount of 8017-9015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9015
  • 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 8017-9015 available by request