8008-6744 Screening compound: ethyl (2E)-3-[4-(benzyloxy)-3,5-diiodophenyl]-2-cyanoprop-2-enoate

8008-6744 Screening compound: ethyl (2E)-3-[4-(benzyloxy)-3,5-diiodophenyl]-2-cyanoprop-2-enoate
8008-6744 Screening compound: ethyl (2E)-3-[4-(benzyloxy)-3,5-diiodophenyl]-2-cyanoprop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-6744
ethyl (2E)-3-[4-(benzyloxy)-3,5-diiodophenyl]-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

8008-6744

Molecular Formula

C19H15I2NO3 (C19 H15 I2 NO3)

Compound Name

ethyl (2E)-3-[4-(benzyloxy)-3,5-diiodophenyl]-2-cyanoprop-2-enoate

IUPAC name

ethyl (2E)-3-[4-(benzyloxy)-35-diiodophenyl]-2-cyanoprop-2-enoate

SMILES

CCOC(/C(/C#N)=C/c(cc1I)cc(I)c1OCc1ccccc1)=O

InChI

InChI=1S/C19H15I2NO3/c1-2-24-19(23)15(11-22)8-14-9-16(20)18(17(21)10-14)25-12-13-6-4-3-5-7-13/h3-10H,2,12H2,1H3

InChI Key

XKUYSMCDARSPKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01061904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

559.14

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.997

Distribution Coefficient, logD

5.997

Water Solubility, LogSw

-5.55

Polar Surface Area

45.449

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

8008-6744 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8008-6744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-6744?
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What is the minimum amount of 8008-6744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-6744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-6744
  • 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 8008-6744 available by request