Y500-7799 Screening compound: 1,4-bis[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1,4-butanedione

Y500-7799 Screening compound: 1,4-bis[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1,4-butanedione
Y500-7799 Screening compound: 1,4-bis[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1,4-butanedione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-7799
1,4-bis[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1,4-butanedione

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

Y500-7799

Molecular Formula

C28H34N4O6 (C28 H34 N4 O6)

Compound Name

1,4-bis[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1,4-butanedione

IUPAC name

14-bis({4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl})butane-14-dione

SMILES

O=C(CCC(N1CCN(Cc(cc2)cc3c2OCO3)CC1)=O)N1CCN(Cc(cc2)cc3c2OCO3)CC1

InChI

InChI=1S/C28H34N4O6/c33-27(31-11-7-29(8-12-31)17-21-1-3-23-25(15-21)37-19-35-23)5-6-28(34)32-13-9-30(10-14-32)18-22-2-4-24-26(16-22)38-20-36-24/h1-4,15-16H,5-14,17-20H2

InChI Key

UEHXTICWVZQGHI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.280

Distribution Coefficient, logD

0.935

Water Solubility, LogSw

-1.99

Polar Surface Area

74.064

Acid Dissociation Constant (pKa)

24.02

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

Y500-7799 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y500-7799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-7799?
Check Price and Availability of Y500-7799, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y500-7799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-7799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-7799
  • 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 Y500-7799 available by request