3683-0548 Screening compound: [2-ethyl-4-(2-methoxyphenyl)-2-methyltetrahydro-2H-pyran-4-yl]methyl cyanide

3683-0548 Screening compound: [2-ethyl-4-(2-methoxyphenyl)-2-methyltetrahydro-2H-pyran-4-yl]methyl cyanide
3683-0548 Screening compound: [2-ethyl-4-(2-methoxyphenyl)-2-methyltetrahydro-2H-pyran-4-yl]methyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3683-0548
[2-ethyl-4-(2-methoxyphenyl)-2-methyltetrahydro-2H-pyran-4-yl]methyl cyanide

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

3683-0548

Molecular Formula

C17H23NO2 (C17 H23 NO2)

Compound Name

[2-ethyl-4-(2-methoxyphenyl)-2-methyltetrahydro-2H-pyran-4-yl]methyl cyanide

IUPAC name

n/a

SMILES

CCC(C)(C1)OCCC1(CC#N)c(cccc1)c1OC

InChI

InChI=1S/C17H23NO2/c1-4-16(2)13-17(9-11-18,10-12-20-16)14-7-5-6-8-15(14)19-3/h5-8H,4,9-10,12-13H2,1-3H3

InChI Key

OUPPYFQFNVASQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01897954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.419

Distribution Coefficient, logD

3.419

Water Solubility, LogSw

-3.63

Polar Surface Area

32.675

Acid Dissociation Constant (pKa)

21.87

Base Dissociation Constant (pKb)

-7.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.80

3683-0548 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3683-0548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3683-0548?
Check Price and Availability of 3683-0548, 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 3683-0548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3683-0548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3683-0548
  • 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 3683-0548 available by request