5586-1856 Screening compound: ethyl 2-cyano-2-(2,2-dimethyl-4-phenyloxan-4-yl)acetate

5586-1856 Screening compound: ethyl 2-cyano-2-(2,2-dimethyl-4-phenyloxan-4-yl)acetate
5586-1856 Screening compound: ethyl 2-cyano-2-(2,2-dimethyl-4-phenyloxan-4-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5586-1856
ethyl 2-cyano-2-(2,2-dimethyl-4-phenyloxan-4-yl)acetate

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

5586-1856

Molecular Formula

C18H23NO3 (C18 H23 NO3)

Compound Name

ethyl 2-cyano-2-(2,2-dimethyl-4-phenyloxan-4-yl)acetate

IUPAC name

ethyl 2-cyano-2-(22-dimethyl-4-phenyloxan-4-yl)acetate

SMILES

CCOC(C(C1(CC(C)(C)OCC1)c1ccccc1)C#N)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.388

Distribution Coefficient, logD

3.388

Water Solubility, LogSw

-3.43

Polar Surface Area

45.168

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

-7.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.60

5586-1856 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5586-1856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5586-1856?
Check Price and Availability of 5586-1856, 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 5586-1856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5586-1856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5586-1856
  • 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 5586-1856 available by request