D442-0426 Screening compound: N-(2-{2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]oxan-4-yl}ethyl)-4-methoxyaniline

D442-0426 Screening compound: N-(2-{2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]oxan-4-yl}ethyl)-4-methoxyaniline
D442-0426 Screening compound: N-(2-{2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]oxan-4-yl}ethyl)-4-methoxyaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound D442-0426
N-(2-{2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]oxan-4-yl}ethyl)-4-methoxyaniline

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

D442-0426

Molecular Formula

C23H28F3NO2 (C23 H28 F3 NO2)

Compound Name

N-(2-{2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]oxan-4-yl}ethyl)-4-methoxyaniline

IUPAC name

N-(2-{22-dimethyl-4-[3-(trifluoromethyl)phenyl]oxan-4-yl}ethyl)-4-methoxyaniline

SMILES

CC(C)(C1)OCCC1(CCNc(cc1)ccc1OC)c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C23H28F3NO2/c1-21(2)16-22(12-14-29-21,17-5-4-6-18(15-17)23(24,25)26)11-13-27-19-7-9-20(28-3)10-8-19/h4-10,15,27H,11-14,16H2,1-3H3/t22-/m0/s1

InChI Key

GXCJOIYVXBELHQ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD08287833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.48

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.957

Distribution Coefficient, logD

5.955

Water Solubility, LogSw

-5.79

Polar Surface Area

24.978

Acid Dissociation Constant (pKa)

20.04

Base Dissociation Constant (pKb)

8.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

D442-0426 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 D442-0426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D442-0426?
Check Price and Availability of D442-0426, 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 D442-0426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D442-0426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D442-0426
  • 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 D442-0426 available by request