4095-0062 Screening compound: 1,4-bis[4-(benzyloxy)but-2-yn-1-yl]piperazine

4095-0062 Screening compound: 1,4-bis[4-(benzyloxy)but-2-yn-1-yl]piperazine
4095-0062 Screening compound: 1,4-bis[4-(benzyloxy)but-2-yn-1-yl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4095-0062
1,4-bis[4-(benzyloxy)but-2-yn-1-yl]piperazine

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

4095-0062

Molecular Formula

C26H30N2O2 (C26 H30 N2 O2)

Compound Name

1,4-bis[4-(benzyloxy)but-2-yn-1-yl]piperazine

IUPAC name

14-bis[4-(benzyloxy)but-2-yn-1-yl]piperazine

SMILES

C(c1ccccc1)OCC#CCN1CCN(CC#CCOCc2ccccc2)CC1

InChI

InChI=1S/C26H30N2O2/c1-3-11-25(12-4-1)23-29-21-9-7-15-27-17-19-28(20-18-27)16-8-10-22-30-24-26-13-5-2-6-14-26/h1-6,11-14H,15-24H2

InChI Key

GIDFECMLXNMILF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02737780

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

402.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.648

Distribution Coefficient, logD

3.647

Water Solubility, LogSw

-3.74

Polar Surface Area

24.174

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

4095-0062 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4095-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4095-0062?
Check Price and Availability of 4095-0062, 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 4095-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4095-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4095-0062
  • 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 4095-0062 available by request