5878-0022 Screening compound: 1-[4-(diphenylmethoxy)but-2-yn-1-yl]-4-(diphenylmethyl)piperazine

5878-0022 Screening compound: 1-[4-(diphenylmethoxy)but-2-yn-1-yl]-4-(diphenylmethyl)piperazine
5878-0022 Screening compound: 1-[4-(diphenylmethoxy)but-2-yn-1-yl]-4-(diphenylmethyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5878-0022
1-[4-(diphenylmethoxy)but-2-yn-1-yl]-4-(diphenylmethyl)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

5878-0022

Molecular Formula

C34H34N2O (C34 H34 N2 O)

Compound Name

1-[4-(diphenylmethoxy)but-2-yn-1-yl]-4-(diphenylmethyl)piperazine

IUPAC name

1-[4-(diphenylmethoxy)but-2-yn-1-yl]-4-(diphenylmethyl)piperazine

SMILES

C(C#CCOC(c1ccccc1)c1ccccc1)N(CC1)CCN1C(c1ccccc1)c1ccccc1

InChI

InChI=1S/C34H34N2O/c1-5-15-29(16-6-1)33(30-17-7-2-8-18-30)36-26-24-35(25-27-36)23-13-14-28-37-34(31-19-9-3-10-20-31)32-21-11-4-12-22-32/h1-12,15-22,33-34H,23-28H2

InChI Key

OZNBWXBGUFXICF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03685776

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

486.66

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.829

Distribution Coefficient, logD

6.824

Water Solubility, LogSw

-6.23

Polar Surface Area

13.413

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

5878-0022 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Akt-Targeted Library (14764 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 5878-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5878-0022?
Check Price and Availability of 5878-0022, 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 5878-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5878-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5878-0022
  • 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 5878-0022 available by request