8017-9017 Screening compound: 3-[4-(1,3-benzodioxol-5-ylamino)piperidino]-1-(3,5-dimethoxyphenyl)dihydro-1H-pyrrole-2,5-dione

8017-9017 Screening compound: 3-[4-(1,3-benzodioxol-5-ylamino)piperidino]-1-(3,5-dimethoxyphenyl)dihydro-1H-pyrrole-2,5-dione
8017-9017 Screening compound: 3-[4-(1,3-benzodioxol-5-ylamino)piperidino]-1-(3,5-dimethoxyphenyl)dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9017
3-[4-(1,3-benzodioxol-5-ylamino)piperidino]-1-(3,5-dimethoxyphenyl)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

8017-9017

Molecular Formula

C24H27N3O6 (C24 H27 N3 O6)

Compound Name

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

IUPAC name

3-{4-[(2H-13-benzodioxol-5-yl)amino]piperidin-1-yl}-1-(35-dimethoxyphenyl)pyrrolidine-25-dione

SMILES

COc1cc(N(C(CC2N(CC3)CCC3Nc(cc3)cc4c3OCO4)=O)C2=O)cc(OC)c1

InChI

InChI=1S/C24H27N3O6/c1-30-18-10-17(11-19(12-18)31-2)27-23(28)13-20(24(27)29)26-7-5-15(6-8-26)25-16-3-4-21-22(9-16)33-14-32-21/h3-4,9-12,15,20,25H,5-8,13-14H2,1-2H3/t20-/m0/s1

InChI Key

CBQFQKSSSTVESG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD06619055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.353

Distribution Coefficient, logD

2.340

Water Solubility, LogSw

-2.91

Polar Surface Area

73.959

Acid Dissociation Constant (pKa)

17.30

Base Dissociation Constant (pKb)

8.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

8017-9017 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Anti-HIV1 Library (19540 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

References: we are preparing a list of scientific research reports with 8017-9017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9017?
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What is the minimum amount of 8017-9017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9017
  • 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 8017-9017 available by request