3456-0196 Screening compound: N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]propanamide

3456-0196 Screening compound: N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]propanamide
3456-0196 Screening compound: N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3456-0196
N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)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

3456-0196

Molecular Formula

C27H37NO3 (C27 H37 NO3)

Compound Name

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

IUPAC name

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

SMILES

CCC(N(CCC(C1CC(C)(C)OCC1)c1ccccc1)Cc(cc1)ccc1OC)=O

InChI

InChI=1S/C27H37NO3/c1-5-26(29)28(20-21-11-13-24(30-4)14-12-21)17-15-25(22-9-7-6-8-10-22)23-16-18-31-27(2,3)19-23/h6-14,23,25H,5,15-20H2,1-4H3

InChI Key

VQQSZBVUKRUMRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01548346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.6

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

5.451

Distribution Coefficient, logD

5.451

Water Solubility, LogSw

-5.28

Polar Surface Area

30.564

Acid Dissociation Constant (pKa)

23.52

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

51.90

3456-0196 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3456-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3456-0196?
Check Price and Availability of 3456-0196, 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 3456-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3456-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3456-0196
  • 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 3456-0196 available by request