D442-0244 Screening compound: benzyl({2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl})amine

D442-0244 Screening compound: benzyl({2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl})amine
D442-0244 Screening compound: benzyl({2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D442-0244
benzyl({2-[2,2-dimethyl-4-(3-methylbutyl)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

D442-0244

Molecular Formula

C21H35NO (C21 H35 NO)

Compound Name

benzyl({2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl})amine

IUPAC name

benzyl({2-[22-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl})amine

SMILES

CC(C)CCC1(CCNCc2ccccc2)CC(C)(C)OCC1

InChI

InChI=1S/C21H35NO/c1-18(2)10-11-21(13-15-23-20(3,4)17-21)12-14-22-16-19-8-6-5-7-9-19/h5-9,18,22H,10-17H2,1-4H3/t21-/m0/s1

InChI Key

UAIVMRDNRRREDM-NRFANRHFSA-N

MDL Number (MFCD)

MFCD05671651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.52

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.631

Distribution Coefficient, logD

3.313

Water Solubility, LogSw

-4.37

Polar Surface Area

19.237

Acid Dissociation Constant (pKa)

26.58

Base Dissociation Constant (pKb)

8.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.40

D442-0244 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 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 D442-0244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D442-0244?
Check Price and Availability of D442-0244, 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 D442-0244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D442-0244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D442-0244
  • 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 D442-0244 available by request