4300-0803 Screening compound: ethyl (2E)-3-[(3-chloro-2-methylphenyl)amino]-2-cyanoprop-2-enoate

4300-0803 Screening compound: ethyl (2E)-3-[(3-chloro-2-methylphenyl)amino]-2-cyanoprop-2-enoate
4300-0803 Screening compound: ethyl (2E)-3-[(3-chloro-2-methylphenyl)amino]-2-cyanoprop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4300-0803
ethyl (2E)-3-[(3-chloro-2-methylphenyl)amino]-2-cyanoprop-2-enoate

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

4300-0803

Molecular Formula

C13H13ClN2O2 (C13 H13 ClN2 O2)

Compound Name

ethyl (2E)-3-[(3-chloro-2-methylphenyl)amino]-2-cyanoprop-2-enoate

IUPAC name

ethyl (2E)-3-[(3-chloro-2-methylphenyl)amino]-2-cyanoprop-2-enoate

SMILES

CCOC(/C(/C#N)=C/Nc1cccc(Cl)c1C)=O

InChI

InChI=1S/C13H13ClN2O2/c1-3-18-13(17)10(7-15)8-16-12-6-4-5-11(14)9(12)2/h4-6,8,16H,3H2,1-2H3

InChI Key

NWBZOEHMYUEYSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.71

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.406

Distribution Coefficient, logD

2.538

Water Solubility, LogSw

-3.63

Polar Surface Area

48.951

Acid Dissociation Constant (pKa)

6.60

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

4300-0803 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4300-0803 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4300-0803?
Check Price and Availability of 4300-0803, 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 4300-0803 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4300-0803
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4300-0803
  • 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 4300-0803 available by request