D442-0246 Screening compound: 4-[({2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}amino)methyl]-N,N-dimethylaniline

D442-0246 Screening compound: 4-[({2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}amino)methyl]-N,N-dimethylaniline
D442-0246 Screening compound: 4-[({2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}amino)methyl]-N,N-dimethylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound D442-0246
4-[({2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}amino)methyl]-N,N-dimethylaniline

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

D442-0246

Molecular Formula

C23H40N2O (C23 H40 N2 O)

Compound Name

4-[({2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}amino)methyl]-N,N-dimethylaniline

IUPAC name

4-[({2-[22-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}amino)methyl]-NN-dimethylaniline

SMILES

CC(C)CCC1(CCNCc(cc2)ccc2N(C)C)CC(C)(C)OCC1

InChI

InChI=1S/C23H40N2O/c1-19(2)11-12-23(14-16-26-22(3,4)18-23)13-15-24-17-20-7-9-21(10-8-20)25(5)6/h7-10,19,24H,11-18H2,1-6H3/t23-/m0/s1

InChI Key

AIPXFVRAHRKDCV-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD05672040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.58

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.721

Distribution Coefficient, logD

3.470

Water Solubility, LogSw

-4.31

Polar Surface Area

22.042

Acid Dissociation Constant (pKa)

26.58

Base Dissociation Constant (pKb)

8.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.90

D442-0246 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 D442-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D442-0246?
Check Price and Availability of D442-0246, 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 D442-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D442-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D442-0246
  • 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 D442-0246 available by request