8009-3028 Screening compound: (E)-2-cyano-3-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-N-(4-methoxyphenyl)-2-propenamide

8009-3028 Screening compound: (E)-2-cyano-3-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-N-(4-methoxyphenyl)-2-propenamide
8009-3028 Screening compound: (E)-2-cyano-3-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-N-(4-methoxyphenyl)-2-propenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-3028
(E)-2-cyano-3-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-N-(4-methoxyphenyl)-2-propenamide

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

8009-3028

Molecular Formula

C25H21FN2O4 (C25 H21 FN2 O4)

Compound Name

(E)-2-cyano-3-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-N-(4-methoxyphenyl)-2-propenamide

IUPAC name

(2E)-2-cyano-3-{4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}-N-(4-methoxyphenyl)prop-2-enamide

SMILES

COc(cc1)ccc1NC(/C(/C#N)=C/c(cc1)cc(OC)c1OCc(cc1)ccc1F)=O

InChI

InChI=1S/C25H21FN2O4/c1-30-22-10-8-21(9-11-22)28-25(29)19(15-27)13-18-5-12-23(24(14-18)31-2)32-16-17-3-6-20(26)7-4-17/h3-14H,16H2,1-2H3,(H,28,29)

InChI Key

RFCRHNUOJQCMEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01571407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.699

Distribution Coefficient, logD

4.696

Water Solubility, LogSw

-4.75

Polar Surface Area

62.874

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

8009-3028 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8009-3028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-3028?
Check Price and Availability of 8009-3028, 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 8009-3028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-3028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-3028
  • 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 8009-3028 available by request