Y600-2170 Screening compound: ethyl (E)-2-cyano-3-(4-methylphenyl)-2-propenoate

Y600-2170 Screening compound: ethyl (E)-2-cyano-3-(4-methylphenyl)-2-propenoate
Y600-2170 Screening compound: ethyl (E)-2-cyano-3-(4-methylphenyl)-2-propenoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-2170
ethyl (E)-2-cyano-3-(4-methylphenyl)-2-propenoate

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

Y600-2170

Molecular Formula

C13H13NO2 (C13 H13 NO2)

Compound Name

ethyl (E)-2-cyano-3-(4-methylphenyl)-2-propenoate

IUPAC name

ethyl (2E)-2-cyano-3-(4-methylphenyl)prop-2-enoate

SMILES

CCOC(/C(/C#N)=C/c1ccc(C)cc1)=O

InChI

InChI=1S/C13H13NO2/c1-3-16-13(15)12(9-14)8-11-6-4-10(2)5-7-11/h4-8H,3H2,1-2H3

InChI Key

KKIZDEFOEGGSKX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

215.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.183

Distribution Coefficient, logD

3.183

Water Solubility, LogSw

-3.06

Polar Surface Area

38.048

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

References: we are preparing a list of scientific research reports with Y600-2170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-2170?
Check Price and Availability of Y600-2170, 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 Y600-2170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-2170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-2170
  • 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 Y600-2170 available by request