3456-0193 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]propanamide

3456-0193 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]propanamide
3456-0193 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3456-0193
N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]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

3456-0193

Molecular Formula

C28H39NO4 (C28 H39 NO4)

Compound Name

N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]propanamide

IUPAC name

N-[(34-dimethoxyphenyl)methyl]-N-[3-(22-dimethyloxan-4-yl)-3-phenylpropyl]propanamide

SMILES

CCC(N(CCC(C1CC(C)(C)OCC1)c1ccccc1)Cc(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C28H39NO4/c1-6-27(30)29(20-21-12-13-25(31-4)26(18-21)32-5)16-14-24(22-10-8-7-9-11-22)23-15-17-33-28(2,3)19-23/h7-13,18,23-24H,6,14-17,19-20H2,1-5H3

InChI Key

NHDLAVULCNPRAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01548467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.041

Distribution Coefficient, logD

5.041

Water Solubility, LogSw

-4.68

Polar Surface Area

38.281

Acid Dissociation Constant (pKa)

23.52

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.60

3456-0193 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 3456-0193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3456-0193?
Check Price and Availability of 3456-0193, 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 3456-0193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3456-0193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3456-0193
  • 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 3456-0193 available by request