D442-0355 Screening compound: N-(2-{2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]tetrahydro-2H-pyran-4-yl}ethyl)-N-(1-methyl-4-piperidyl)amine

D442-0355 Screening compound: N-(2-{2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]tetrahydro-2H-pyran-4-yl}ethyl)-N-(1-methyl-4-piperidyl)amine
D442-0355 Screening compound: N-(2-{2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]tetrahydro-2H-pyran-4-yl}ethyl)-N-(1-methyl-4-piperidyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D442-0355
N-(2-{2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]tetrahydro-2H-pyran-4-yl}ethyl)-N-(1-methyl-4-piperidyl)amine

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

D442-0355

Molecular Formula

C22H33F3N2O (C22 H33 F3 N2 O)

Compound Name

N-(2-{2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]tetrahydro-2H-pyran-4-yl}ethyl)-N-(1-methyl-4-piperidyl)amine

IUPAC name

n/a

SMILES

CC(C)(C1)OCCC1(CCNC1CCN(C)CC1)c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C22H33F3N2O/c1-20(2)16-21(10-14-28-20,9-11-26-19-7-12-27(3)13-8-19)17-5-4-6-18(15-17)22(23,24)25/h4-6,15,19,26H,7-14,16H2,1-3H3/t21-/m0/s1

InChI Key

YPUZXMABKRRKDF-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14829242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.764

Distribution Coefficient, logD

1.747

Water Solubility, LogSw

-3.98

Polar Surface Area

21.958

Acid Dissociation Constant (pKa)

26.86

Base Dissociation Constant (pKb)

9.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.70

D442-0355 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D442-0355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D442-0355?
Check Price and Availability of D442-0355, 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 D442-0355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D442-0355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D442-0355
  • 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 D442-0355 available by request