D442-0136 Screening compound: benzyl({2-[4-(4-methylphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl})amine

D442-0136 Screening compound: benzyl({2-[4-(4-methylphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl})amine
D442-0136 Screening compound: benzyl({2-[4-(4-methylphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D442-0136
benzyl({2-[4-(4-methylphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl})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

D442-0136

Molecular Formula

C24H33NO (C24 H33 NO)

Compound Name

benzyl({2-[4-(4-methylphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl})amine

IUPAC name

benzyl({2-[4-(4-methylphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl})amine

SMILES

CC(C)C(C1)OCCC1(CCNCc1ccccc1)c1ccc(C)cc1

InChI

InChI=1S/C24H33NO/c1-19(2)23-17-24(14-16-26-23,22-11-9-20(3)10-12-22)13-15-25-18-21-7-5-4-6-8-21/h4-12,19,23,25H,13-18H2,1-3H3

InChI Key

PGPBHEFCMXSXDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03682945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.53

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.209

Distribution Coefficient, logD

3.850

Water Solubility, LogSw

-5.13

Polar Surface Area

19.620

Acid Dissociation Constant (pKa)

25.85

Base Dissociation Constant (pKb)

8.74

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

D442-0136 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D442-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D442-0136?
Check Price and Availability of D442-0136, 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 D442-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D442-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D442-0136
  • 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 D442-0136 available by request