8017-2751 Screening compound: 1'-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-1,4'-bipiperidine-4'-carboxamide

8017-2751 Screening compound: 1'-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-1,4'-bipiperidine-4'-carboxamide
8017-2751 Screening compound: 1'-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-1,4'-bipiperidine-4'-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2751
1'-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-1,4'-bipiperidine-4'-carboxamide

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

8017-2751

Molecular Formula

C22H28N4O5 (C22 H28 N4 O5)

Compound Name

1'-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-1,4'-bipiperidine-4'-carboxamide

IUPAC name

1'-[1-(2H-13-benzodioxol-5-yl)-25-dioxopyrrolidin-3-yl]-[14'-bipiperidine]-4'-carboxamide

SMILES

NC(C(CC1)(CCN1C(CC(N1c(cc2)cc3c2OCO3)=O)C1=O)N1CCCCC1)=O

InChI

InChI=1S/C22H28N4O5/c23-21(29)22(25-8-2-1-3-9-25)6-10-24(11-7-22)16-13-19(27)26(20(16)28)15-4-5-17-18(12-15)31-14-30-17/h4-5,12,16H,1-3,6-11,13-14H2,(H2,23,29)/t16-/m0/s1

InChI Key

PFGSHPLYTKTLTI-INIZCTEOSA-N

MDL Number (MFCD)

MFCD06015523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.899

Distribution Coefficient, logD

0.724

Water Solubility, LogSw

-1.75

Polar Surface Area

86.239

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

8017-2751 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)

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 8017-2751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2751?
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What is the minimum amount of 8017-2751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2751
  • 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 8017-2751 available by request