K229-0085 Screening compound: 3-[(2E)-3-(3-fluorophenyl)prop-2-enoyl]-8-methoxy-2H-chromen-2-one

K229-0085 Screening compound: 3-[(2E)-3-(3-fluorophenyl)prop-2-enoyl]-8-methoxy-2H-chromen-2-one
K229-0085 Screening compound: 3-[(2E)-3-(3-fluorophenyl)prop-2-enoyl]-8-methoxy-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K229-0085
3-[(2E)-3-(3-fluorophenyl)prop-2-enoyl]-8-methoxy-2H-chromen-2-one

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

K229-0085

Molecular Formula

C19H13FO4 (C19 H13 FO4)

Compound Name

3-[(2E)-3-(3-fluorophenyl)prop-2-enoyl]-8-methoxy-2H-chromen-2-one

IUPAC name

3-[(2E)-3-(3-fluorophenyl)prop-2-enoyl]-8-methoxy-2H-chromen-2-one

SMILES

COc1cccc(C=C2C(/C=C/c3cccc(F)c3)=O)c1OC2=O

InChI

InChI=1S/C19H13FO4/c1-23-17-7-3-5-13-11-15(19(22)24-18(13)17)16(21)9-8-12-4-2-6-14(20)10-12/h2-11H,1H3

InChI Key

VPQSDIATYIMUAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.709

Distribution Coefficient, logD

3.709

Water Solubility, LogSw

-4.23

Polar Surface Area

41.450

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

K229-0085 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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

References: we are preparing a list of scientific research reports with K229-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K229-0085?
Check Price and Availability of K229-0085, 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 K229-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K229-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K229-0085
  • 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 K229-0085 available by request