K229-0116 Screening compound: 8-methoxy-3-[(2E)-3-[4-(methylsulfanyl)phenyl]prop-2-enoyl]-2H-chromen-2-one

K229-0116 Screening compound: 8-methoxy-3-[(2E)-3-[4-(methylsulfanyl)phenyl]prop-2-enoyl]-2H-chromen-2-one
K229-0116 Screening compound: 8-methoxy-3-[(2E)-3-[4-(methylsulfanyl)phenyl]prop-2-enoyl]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K229-0116
8-methoxy-3-[(2E)-3-[4-(methylsulfanyl)phenyl]prop-2-enoyl]-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

K229-0116

Molecular Formula

C20H16O4S (C20 H16 O4 S)

Compound Name

8-methoxy-3-[(2E)-3-[4-(methylsulfanyl)phenyl]prop-2-enoyl]-2H-chromen-2-one

IUPAC name

8-methoxy-3-[(2E)-3-[4-(methylsulfanyl)phenyl]prop-2-enoyl]-2H-chromen-2-one

SMILES

COc1cccc(C=C2C(/C=C/c(cc3)ccc3SC)=O)c1OC2=O

InChI

InChI=1S/C20H16O4S/c1-23-18-5-3-4-14-12-16(20(22)24-19(14)18)17(21)11-8-13-6-9-15(25-2)10-7-13/h3-12H,1-2H3

InChI Key

VMPVMUZLIJTMPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.299

Distribution Coefficient, logD

4.299

Water Solubility, LogSw

-4.67

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

10.00

K229-0116 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K229-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K229-0116?
Check Price and Availability of K229-0116, 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 K229-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K229-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K229-0116
  • 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 K229-0116 available by request