D442-0276 Screening compound: N-{2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}-N-[(furan-2-yl)methyl]propanamide

D442-0276 Screening compound: N-{2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}-N-[(furan-2-yl)methyl]propanamide
D442-0276 Screening compound: N-{2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}-N-[(furan-2-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D442-0276
N-{2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}-N-[(furan-2-yl)methyl]propanamide

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

D442-0276

Molecular Formula

C22H37NO3 (C22 H37 NO3)

Compound Name

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

IUPAC name

N-{2-[22-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}-N-[(furan-2-yl)methyl]propanamide

SMILES

CCC(N(CCC1(CCC(C)C)CC(C)(C)OCC1)Cc1ccco1)=O

InChI

InChI=1S/C22H37NO3/c1-6-20(24)23(16-19-8-7-14-25-19)13-11-22(10-9-18(2)3)12-15-26-21(4,5)17-22/h7-8,14,18H,6,9-13,15-17H2,1-5H3/t22-/m0/s1

InChI Key

JBHCGQIMUASSDG-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD05672202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.986

Distribution Coefficient, logD

4.986

Water Solubility, LogSw

-4.44

Polar Surface Area

31.040

Acid Dissociation Constant (pKa)

23.52

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

77.30

D442-0276 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 D442-0276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D442-0276?
Check Price and Availability of D442-0276, 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 D442-0276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D442-0276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D442-0276
  • 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 D442-0276 available by request