6319-3459 Screening compound: (Z)-[amino(4-methylphenyl)methylidene]amino (2E)-3-phenylprop-2-enoate

6319-3459 Screening compound: (Z)-[amino(4-methylphenyl)methylidene]amino (2E)-3-phenylprop-2-enoate
6319-3459 Screening compound: (Z)-[amino(4-methylphenyl)methylidene]amino (2E)-3-phenylprop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6319-3459
(Z)-[amino(4-methylphenyl)methylidene]amino (2E)-3-phenylprop-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

6319-3459

Molecular Formula

C17H16N2O2 (C17 H16 N2 O2)

Compound Name

(Z)-[amino(4-methylphenyl)methylidene]amino (2E)-3-phenylprop-2-enoate

IUPAC name

(Z)-[amino(4-methylphenyl)methylidene]amino (2E)-3-phenylprop-2-enoate

SMILES

Cc(cc1)ccc1/C(/N)=N/OC(/C=C/c1ccccc1)=O

InChI

InChI=1S/C17H16N2O2/c1-13-7-10-15(11-8-13)17(18)19-21-16(20)12-9-14-5-3-2-4-6-14/h2-12H,1H3,(H2,18,19)

InChI Key

YBYUBGJBSDTYAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02217818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.578

Distribution Coefficient, logD

3.578

Water Solubility, LogSw

-3.52

Polar Surface Area

51.515

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

6319-3459 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6319-3459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6319-3459?
Check Price and Availability of 6319-3459, 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 6319-3459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6319-3459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6319-3459
  • 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 6319-3459 available by request