D442-0173 Screening compound: [(2H-1,3-benzodioxol-5-yl)methyl]({2-[4-(2-methoxyphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl})amine

D442-0173 Screening compound: [(2H-1,3-benzodioxol-5-yl)methyl]({2-[4-(2-methoxyphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl})amine
D442-0173 Screening compound: [(2H-1,3-benzodioxol-5-yl)methyl]({2-[4-(2-methoxyphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D442-0173
[(2H-1,3-benzodioxol-5-yl)methyl]({2-[4-(2-methoxyphenyl)-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

D442-0173

Molecular Formula

C25H33NO4 (C25 H33 NO4)

Compound Name

[(2H-1,3-benzodioxol-5-yl)methyl]({2-[4-(2-methoxyphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl})amine

IUPAC name

[(2H-13-benzodioxol-5-yl)methyl]({2-[4-(2-methoxyphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl})amine

SMILES

CC(C)C(C1)OCCC1(CCNCc(cc1)cc2c1OCO2)c(cccc1)c1OC

InChI

InChI=1S/C25H33NO4/c1-18(2)24-15-25(11-13-28-24,20-6-4-5-7-21(20)27-3)10-12-26-16-19-8-9-22-23(14-19)30-17-29-22/h4-9,14,18,24,26H,10-13,15-17H2,1-3H3

InChI Key

NMPJHGCISZRRPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03854259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.384

Distribution Coefficient, logD

1.819

Water Solubility, LogSw

-4.32

Polar Surface Area

44.366

Acid Dissociation Constant (pKa)

25.85

Base Dissociation Constant (pKb)

9.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.00

D442-0173 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D442-0173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D442-0173?
Check Price and Availability of D442-0173, 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 D442-0173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D442-0173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D442-0173
  • 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 D442-0173 available by request