8005-4851 Screening compound: 2-[(E)-[(2,4-dimethylphenyl)imino]methyl]-4-({3-[(Z)-[(2,4-dimethylphenyl)imino]methyl]-4-{[(2E)-3-phenylprop-2-enoyl]oxy}phenyl}methyl)phenyl (2E)-3-phenylprop-2-enoate

8005-4851 Screening compound: 2-[(E)-[(2,4-dimethylphenyl)imino]methyl]-4-({3-[(Z)-[(2,4-dimethylphenyl)imino]methyl]-4-{[(2E)-3-phenylprop-2-enoyl]oxy}phenyl}methyl)phenyl (2E)-3-phenylprop-2-enoate
8005-4851 Screening compound: 2-[(E)-[(2,4-dimethylphenyl)imino]methyl]-4-({3-[(Z)-[(2,4-dimethylphenyl)imino]methyl]-4-{[(2E)-3-phenylprop-2-enoyl]oxy}phenyl}methyl)phenyl (2E)-3-phenylprop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-4851
2-[(E)-[(2,4-dimethylphenyl)imino]methyl]-4-({3-[(Z)-[(2,4-dimethylphenyl)imino]methyl]-4-{[(2E)-3-phenylprop-2-enoyl]oxy}phenyl}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

8005-4851

Molecular Formula

C49H42N2O4 (C49 H42 N2 O4)

Compound Name

2-[(E)-[(2,4-dimethylphenyl)imino]methyl]-4-({3-[(Z)-[(2,4-dimethylphenyl)imino]methyl]-4-{[(2E)-3-phenylprop-2-enoyl]oxy}phenyl}methyl)phenyl (2E)-3-phenylprop-2-enoate

IUPAC name

2-[(E)-[(24-dimethylphenyl)imino]methyl]-4-({3-[(Z)-[(24-dimethylphenyl)imino]methyl]-4-{[(2E)-3-phenylprop-2-enoyl]oxy}phenyl}methyl)phenyl (2E)-3-phenylprop-2-enoate

SMILES

Cc(cc1)cc(C)c1/N=C/c(cc(Cc(cc1)cc(/C=N\c2c(C)cc(C)cc2)c1OC(/C=C/c1ccccc1)=O)cc1)c1OC(/C=C/c1ccccc1)=O

InChI

InChI=1S/C49H42N2O4/c1-34-15-21-44(36(3)27-34)50-32-42-30-40(17-23-46(42)54-48(52)25-19-38-11-7-5-8-12-38)29-41-18-24-47(55-49(53)26-20-39-13-9-6-10-14-39)43(31-41)33-51-45-22-16-35(2)28-37(45)4/h5-28,30-33H,29H2,1-4H3

InChI Key

LORHUYQFERLTDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00820003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

722.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

12.102

Distribution Coefficient, logD

12.102

Water Solubility, LogSw

-5.69

Polar Surface Area

54.565

Acid Dissociation Constant (pKa)

26.93

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.20

8005-4851 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 8005-4851 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-4851?
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What is the minimum amount of 8005-4851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-4851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-4851
  • 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 8005-4851 available by request