4608-0035 Screening compound: (2E)-3-(2,3,5,6-tetrafluoro-4-methoxyphenyl)prop-2-enoic acid

4608-0035 Screening compound: (2E)-3-(2,3,5,6-tetrafluoro-4-methoxyphenyl)prop-2-enoic acid
4608-0035 Screening compound: (2E)-3-(2,3,5,6-tetrafluoro-4-methoxyphenyl)prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4608-0035
(2E)-3-(2,3,5,6-tetrafluoro-4-methoxyphenyl)prop-2-enoic acid

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

4608-0035

Molecular Formula

C10H6F4O3 (C10 H6 F4 O3)

Compound Name

(2E)-3-(2,3,5,6-tetrafluoro-4-methoxyphenyl)prop-2-enoic acid

IUPAC name

(2E)-3-(2356-tetrafluoro-4-methoxyphenyl)prop-2-enoic acid

SMILES

COc(c(F)c(c(/C=C/C(O)=O)c1F)F)c1F

InChI

InChI=1S/C10H6F4O3/c1-17-10-8(13)6(11)4(2-3-5(15)16)7(12)9(10)14/h2-3H,1H3,(H,15,16)

InChI Key

WTMURTQUJBZDLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00483157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.15

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.015

Distribution Coefficient, logD

-0.029

Water Solubility, LogSw

-2.81

Polar Surface Area

36.339

Acid Dissociation Constant (pKa)

4.36

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

4608-0035 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4608-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4608-0035?
Check Price and Availability of 4608-0035, 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 4608-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4608-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4608-0035
  • 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 4608-0035 available by request