D442-0245 Screening compound: {2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}({[4-(propan-2-yloxy)phenyl]methyl})amine

D442-0245 Screening compound: {2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}({[4-(propan-2-yloxy)phenyl]methyl})amine
D442-0245 Screening compound: {2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}({[4-(propan-2-yloxy)phenyl]methyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D442-0245
{2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}({[4-(propan-2-yloxy)phenyl]methyl})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

D442-0245

Molecular Formula

C24H41NO2 (C24 H41 NO2)

Compound Name

{2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}({[4-(propan-2-yloxy)phenyl]methyl})amine

IUPAC name

{2-[22-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}({[4-(propan-2-yloxy)phenyl]methyl})amine

SMILES

CC(C)CCC1(CCNCc(cc2)ccc2OC(C)C)CC(C)(C)OCC1

InChI

InChI=1S/C24H41NO2/c1-19(2)11-12-24(14-16-26-23(5,6)18-24)13-15-25-17-21-7-9-22(10-8-21)27-20(3)4/h7-10,19-20,25H,11-18H2,1-6H3/t24-/m0/s1

InChI Key

XIPHEVSTVZMQGN-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD05670770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.6

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.298

Distribution Coefficient, logD

4.224

Water Solubility, LogSw

-5.31

Polar Surface Area

26.039

Acid Dissociation Constant (pKa)

26.58

Base Dissociation Constant (pKb)

8.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

D442-0245 in Drug Discovery

Included in Screening Libraries

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 D442-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D442-0245?
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What is the minimum amount of D442-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D442-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D442-0245
  • 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 D442-0245 available by request