Y500-7799 Screening compound: 1,4-bis[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1,4-butanedione
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 Key
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
- Nervous system
- Cardiovascular
- 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
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)