0519-0208 Screening compound: (2E)-3-[(4-cyanophenyl)carbamoyl]prop-2-enoic acid

0519-0208 Screening compound: (2E)-3-[(4-cyanophenyl)carbamoyl]prop-2-enoic acid
0519-0208 Screening compound: (2E)-3-[(4-cyanophenyl)carbamoyl]prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0519-0208
(2E)-3-[(4-cyanophenyl)carbamoyl]prop-2-enoic acid

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

0519-0208

Molecular Formula

C11H8N2O3 (C11 H8 N2 O3)

Compound Name

(2E)-3-[(4-cyanophenyl)carbamoyl]prop-2-enoic acid

IUPAC name

(2E)-3-[(4-cyanophenyl)carbamoyl]prop-2-enoic acid

SMILES

N#Cc(cc1)ccc1NC(/C=C/C(O)=O)=O

InChI

InChI=1S/C11H8N2O3/c12-7-8-1-3-9(4-2-8)13-10(14)5-6-11(15)16/h1-6H,(H,13,14)(H,15,16)

InChI Key

RPHFOECPERWGCT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

216.2

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.188

Distribution Coefficient, logD

-3.270

Water Solubility, LogSw

-1.79

Polar Surface Area

68.828

Acid Dissociation Constant (pKa)

2.94

Base Dissociation Constant (pKb)

0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 0519-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0519-0208?
Check Price and Availability of 0519-0208, 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 0519-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0519-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0519-0208
  • 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 0519-0208 available by request