8005-5364 Screening compound: 2-[(E)-{[(3-methylphenyl)formamido]imino}methyl]phenyl (2E)-3-phenylprop-2-enoate

8005-5364 Screening compound: 2-[(E)-{[(3-methylphenyl)formamido]imino}methyl]phenyl (2E)-3-phenylprop-2-enoate
8005-5364 Screening compound: 2-[(E)-{[(3-methylphenyl)formamido]imino}methyl]phenyl (2E)-3-phenylprop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-5364
2-[(E)-{[(3-methylphenyl)formamido]imino}methyl]phenyl (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

8005-5364

Molecular Formula

C24H20N2O3 (C24 H20 N2 O3)

Compound Name

2-[(E)-{[(3-methylphenyl)formamido]imino}methyl]phenyl (2E)-3-phenylprop-2-enoate

IUPAC name

2-[(E)-{[(3-methylphenyl)formamido]imino}methyl]phenyl (2E)-3-phenylprop-2-enoate

SMILES

Cc1cccc(C(N/N=C/c(cccc2)c2OC(/C=C/c2ccccc2)=O)=O)c1

InChI

InChI=1S/C24H20N2O3/c1-18-8-7-12-20(16-18)24(28)26-25-17-21-11-5-6-13-22(21)29-23(27)15-14-19-9-3-2-4-10-19/h2-17H,1H3,(H,26,28)

InChI Key

SRWDQBZEKUUMIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00685346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.131

Distribution Coefficient, logD

5.082

Water Solubility, LogSw

-5.07

Polar Surface Area

55.424

Acid Dissociation Constant (pKa)

8.32

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

8005-5364 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 8005-5364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-5364?
Check Price and Availability of 8005-5364, 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 8005-5364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-5364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-5364
  • 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 8005-5364 available by request