5878-0029 Screening compound: 1,4-bis({4-[2-(benzyloxy)ethoxy]but-2-yn-1-yl})piperazine

5878-0029 Screening compound: 1,4-bis({4-[2-(benzyloxy)ethoxy]but-2-yn-1-yl})piperazine
5878-0029 Screening compound: 1,4-bis({4-[2-(benzyloxy)ethoxy]but-2-yn-1-yl})piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5878-0029
1,4-bis({4-[2-(benzyloxy)ethoxy]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

5878-0029

Molecular Formula

C30H38N2O4 (C30 H38 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

C(COCC#CCN1CCN(CC#CCOCCOCc2ccccc2)CC1)OCc1ccccc1

InChI

InChI=1S/C30H38N2O4/c1-3-11-29(12-4-1)27-35-25-23-33-21-9-7-15-31-17-19-32(20-18-31)16-8-10-22-34-24-26-36-28-30-13-5-2-6-14-30/h1-6,11-14H,15-28H2

InChI Key

HUIAWOLXAQBDMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02737781

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

490.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.707

Distribution Coefficient, logD

2.705

Water Solubility, LogSw

-2.62

Polar Surface Area

40.717

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

5878-0029 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5878-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5878-0029?
Check Price and Availability of 5878-0029, 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 5878-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5878-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5878-0029
  • 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 5878-0029 available by request