D442-0389 Screening compound: 1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-4-phenylpiperazine

D442-0389 Screening compound: 1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-4-phenylpiperazine
D442-0389 Screening compound: 1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-4-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D442-0389
1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-4-phenylpiperazine

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

D442-0389

Molecular Formula

C25H34N2O (C25 H34 N2 O)

Compound Name

1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-4-phenylpiperazine

IUPAC name

1-[2-(22-dimethyl-4-phenyloxan-4-yl)ethyl]-4-phenylpiperazine

SMILES

CC(C)(C1)OCCC1(CCN(CC1)CCN1c1ccccc1)c1ccccc1

InChI

InChI=1S/C25H34N2O/c1-24(2)21-25(14-20-28-24,22-9-5-3-6-10-22)13-15-26-16-18-27(19-17-26)23-11-7-4-8-12-23/h3-12H,13-21H2,1-2H3/t25-/m0/s1

InChI Key

NDQBUUXGNKMAOY-VWLOTQADSA-N

MDL Number (MFCD)

MFCD08292101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.56

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.046

Distribution Coefficient, logD

4.944

Water Solubility, LogSw

-4.61

Polar Surface Area

14.329

Acid Dissociation Constant (pKa)

26.92

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

D442-0389 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D442-0389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D442-0389?
Check Price and Availability of D442-0389, 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 D442-0389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D442-0389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D442-0389
  • 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 D442-0389 available by request