8017-2626 Screening compound: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]-4-piperidinecarboxamide

8017-2626 Screening compound: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]-4-piperidinecarboxamide
8017-2626 Screening compound: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2626
1-[1-(1,3-benzodioxol-5-yl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]-4-piperidinecarboxamide

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

8017-2626

Molecular Formula

C17H19N3O5 (C17 H19 N3 O5)

Compound Name

1-[1-(1,3-benzodioxol-5-yl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]-4-piperidinecarboxamide

IUPAC name

1-[1-(2H-13-benzodioxol-5-yl)-25-dioxopyrrolidin-3-yl]piperidine-4-carboxamide

SMILES

NC(C(CC1)CCN1C(CC(N1c(cc2)cc3c2OCO3)=O)C1=O)=O

InChI

InChI=1S/C17H19N3O5/c18-16(22)10-3-5-19(6-4-10)12-8-15(21)20(17(12)23)11-1-2-13-14(7-11)25-9-24-13/h1-2,7,10,12H,3-6,8-9H2,(H2,18,22)/t12-/m0/s1

InChI Key

BDVQJBIZTIQYRP-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD06015415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.476

Distribution Coefficient, logD

-0.478

Water Solubility, LogSw

-1.56

Polar Surface Area

83.162

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.06

8017-2626 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 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
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8017-2626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2626?
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What is the minimum amount of 8017-2626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2626
  • 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 8017-2626 available by request