D442-0212 Screening compound: N-{2-[2,2-dimethyl-4-(propan-2-yl)oxan-4-yl]ethyl}-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide

D442-0212 Screening compound: N-{2-[2,2-dimethyl-4-(propan-2-yl)oxan-4-yl]ethyl}-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide
D442-0212 Screening compound: N-{2-[2,2-dimethyl-4-(propan-2-yl)oxan-4-yl]ethyl}-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D442-0212
N-{2-[2,2-dimethyl-4-(propan-2-yl)oxan-4-yl]ethyl}-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide

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

D442-0212

Molecular Formula

C24H39NO3 (C24 H39 NO3)

Compound Name

N-{2-[2,2-dimethyl-4-(propan-2-yl)oxan-4-yl]ethyl}-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide

IUPAC name

N-{2-[22-dimethyl-4-(propan-2-yl)oxan-4-yl]ethyl}-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide

SMILES

CC(C)C1(CCN(Cc(cc2)ccc2OC(C)C)C(C)=O)CC(C)(C)OCC1

InChI

InChI=1S/C24H39NO3/c1-18(2)24(13-15-27-23(6,7)17-24)12-14-25(20(5)26)16-21-8-10-22(11-9-21)28-19(3)4/h8-11,18-19H,12-17H2,1-7H3/t24-/m0/s1

InChI Key

OTNQWJOZBWPZRK-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14829240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.626

Distribution Coefficient, logD

4.626

Water Solubility, LogSw

-4.33

Polar Surface Area

31.089

Acid Dissociation Constant (pKa)

24.05

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.80

D442-0212 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D442-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D442-0212?
Check Price and Availability of D442-0212, 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 D442-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D442-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D442-0212
  • 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 D442-0212 available by request