0933-0050 Screening compound: ethyl N-[(2Z)-2-cyano-2-(phenylmethylidene)acetyl]carbamate

0933-0050 Screening compound: ethyl N-[(2Z)-2-cyano-2-(phenylmethylidene)acetyl]carbamate
0933-0050 Screening compound: ethyl N-[(2Z)-2-cyano-2-(phenylmethylidene)acetyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0933-0050
ethyl N-[(2Z)-2-cyano-2-(phenylmethylidene)acetyl]carbamate

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

0933-0050

Molecular Formula

C13H12N2O3 (C13 H12 N2 O3)

Compound Name

ethyl N-[(2Z)-2-cyano-2-(phenylmethylidene)acetyl]carbamate

IUPAC name

ethyl N-[(2Z)-2-cyano-2-(phenylmethylidene)acetyl]carbamate

SMILES

CCOC(NC(/C(/C#N)=C\c1ccccc1)=O)=O

InChI

InChI=1S/C13H12N2O3/c1-2-18-13(17)15-12(16)11(9-14)8-10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H,15,16,17)

InChI Key

MFOYMWQVCNNGAQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.032

Distribution Coefficient, logD

0.803

Water Solubility, LogSw

-2.49

Polar Surface Area

62.917

Acid Dissociation Constant (pKa)

6.20

Base Dissociation Constant (pKb)

-2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 0933-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0933-0050?
Check Price and Availability of 0933-0050, 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 0933-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0933-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0933-0050
  • 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 0933-0050 available by request