D442-0129 Screening compound: N,N-dimethyl-4-[({2-[4-(4-methylphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl}amino)methyl]aniline

D442-0129 Screening compound: N,N-dimethyl-4-[({2-[4-(4-methylphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl}amino)methyl]aniline
D442-0129 Screening compound: N,N-dimethyl-4-[({2-[4-(4-methylphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl}amino)methyl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound D442-0129
N,N-dimethyl-4-[({2-[4-(4-methylphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl}amino)methyl]aniline

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

D442-0129

Molecular Formula

C26H38N2O (C26 H38 N2 O)

Compound Name

N,N-dimethyl-4-[({2-[4-(4-methylphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl}amino)methyl]aniline

IUPAC name

NN-dimethyl-4-[({2-[4-(4-methylphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl}amino)methyl]aniline

SMILES

CC(C)C(C1)OCCC1(CCNCc(cc1)ccc1N(C)C)c1ccc(C)cc1

InChI

InChI=1S/C26H38N2O/c1-20(2)25-18-26(15-17-29-25,23-10-6-21(3)7-11-23)14-16-27-19-22-8-12-24(13-9-22)28(4)5/h6-13,20,25,27H,14-19H2,1-5H3

InChI Key

PASVNSLWOIJXES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03674171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.6

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.299

Distribution Coefficient, logD

4.007

Water Solubility, LogSw

-5.24

Polar Surface Area

22.425

Acid Dissociation Constant (pKa)

25.85

Base Dissociation Constant (pKb)

8.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.80

D442-0129 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D442-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D442-0129?
Check Price and Availability of D442-0129, 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 D442-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D442-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D442-0129
  • 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 D442-0129 available by request