3456-0214 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]acetamide

3456-0214 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]acetamide
3456-0214 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3456-0214
N-[(3,4-dimethoxyphenyl)methyl]-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]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

3456-0214

Molecular Formula

C26H35NO4 (C26 H35 NO4)

Compound Name

N-[(3,4-dimethoxyphenyl)methyl]-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]acetamide

IUPAC name

N-[(34-dimethoxyphenyl)methyl]-N-[2-(22-dimethyl-4-phenyloxan-4-yl)ethyl]acetamide

SMILES

CC(C)(C1)OCCC1(CCN(Cc(cc1)cc(OC)c1OC)C(C)=O)c1ccccc1

InChI

InChI=1S/C26H35NO4/c1-20(28)27(18-21-11-12-23(29-4)24(17-21)30-5)15-13-26(22-9-7-6-8-10-22)14-16-31-25(2,3)19-26/h6-12,17H,13-16,18-19H2,1-5H3/t26-/m0/s1

InChI Key

PEKCMKQLYHFDRC-SANMLTNESA-N

MDL Number (MFCD)

MFCD01550059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.170

Distribution Coefficient, logD

4.170

Water Solubility, LogSw

-4.32

Polar Surface Area

39.276

Acid Dissociation Constant (pKa)

24.05

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

3456-0214 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 3456-0214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3456-0214?
Check Price and Availability of 3456-0214, 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 3456-0214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3456-0214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3456-0214
  • 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 3456-0214 available by request