8017-6492 Screening compound: 3,3'-(4,4'-bipiperidine-1,1'-diyl)bis[1-(5-methylisoxazol-3-yl)pyrrolidine-2,5-dione]

8017-6492 Screening compound: 3,3'-(4,4'-bipiperidine-1,1'-diyl)bis[1-(5-methylisoxazol-3-yl)pyrrolidine-2,5-dione]
8017-6492 Screening compound: 3,3'-(4,4'-bipiperidine-1,1'-diyl)bis[1-(5-methylisoxazol-3-yl)pyrrolidine-2,5-dione] alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6492
3,3'-(4,4'-bipiperidine-1,1'-diyl)bis[1-(5-methylisoxazol-3-yl)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

8017-6492

Molecular Formula

C26H32N6O6 (C26 H32 N6 O6)

Compound Name

3,3'-(4,4'-bipiperidine-1,1'-diyl)bis[1-(5-methylisoxazol-3-yl)pyrrolidine-2,5-dione]

IUPAC name

1-(5-methyl-12-oxazol-3-yl)-3-{1'-[1-(5-methyl-12-oxazol-3-yl)-25-dioxopyrrolidin-3-yl]-[44'-bipiperidin]-1-yl}pyrrolidine-25-dione

SMILES

Cc1cc(N(C(CC2N(CC3)CCC3C(CC3)CCN3C(CC(N3c4noc(C)c4)=O)C3=O)=O)C2=O)no1

InChI

InChI=1S/C26H32N6O6/c1-15-11-21(27-37-15)31-23(33)13-19(25(31)35)29-7-3-17(4-8-29)18-5-9-30(10-6-18)20-14-24(34)32(26(20)36)22-12-16(2)38-28-22/h11-12,17-20H,3-10,13-14H2,1-2H3

InChI Key

OCLAZKRVHDCWIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.58

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

0.641

Distribution Coefficient, logD

0.641

Water Solubility, LogSw

-0.85

Polar Surface Area

104.849

Acid Dissociation Constant (pKa)

17.72

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.54

8017-6492 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-6492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6492?
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What is the minimum amount of 8017-6492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6492
  • 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 8017-6492 available by request