Y204-0914 Screening compound: (4-benzhydrylpiperazino)(1,3-benzodioxol-5-yl)methanone

Y204-0914 Screening compound: (4-benzhydrylpiperazino)(1,3-benzodioxol-5-yl)methanone
Y204-0914 Screening compound: (4-benzhydrylpiperazino)(1,3-benzodioxol-5-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y204-0914
(4-benzhydrylpiperazino)(1,3-benzodioxol-5-yl)methanone

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

Y204-0914

Molecular Formula

C25H24N2O3 (C25 H24 N2 O3)

Compound Name

(4-benzhydrylpiperazino)(1,3-benzodioxol-5-yl)methanone

IUPAC name

1-(2H-13-benzodioxole-5-carbonyl)-4-(diphenylmethyl)piperazine

SMILES

O=C(c(cc1)cc2c1OCO2)N(CC1)CCN1C(c1ccccc1)c1ccccc1

InChI

InChI=1S/C25H24N2O3/c28-25(21-11-12-22-23(17-21)30-18-29-22)27-15-13-26(14-16-27)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17,24H,13-16,18H2

InChI Key

PHNMEQIKGBZCAU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.201

Distribution Coefficient, logD

4.199

Water Solubility, LogSw

-4.37

Polar Surface Area

36.564

Acid Dissociation Constant (pKa)

25.05

Base Dissociation Constant (pKb)

4.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

Y204-0914 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y204-0914 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y204-0914?
Check Price and Availability of Y204-0914, 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 Y204-0914 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y204-0914
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y204-0914
  • 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 Y204-0914 available by request