0978-8402 Screening compound: 4-methyl-2-oxo-2H-chromen-7-yl (2E)-3-(4-ethoxyphenyl)prop-2-enoate

0978-8402 Screening compound: 4-methyl-2-oxo-2H-chromen-7-yl (2E)-3-(4-ethoxyphenyl)prop-2-enoate
0978-8402 Screening compound: 4-methyl-2-oxo-2H-chromen-7-yl (2E)-3-(4-ethoxyphenyl)prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0978-8402
4-methyl-2-oxo-2H-chromen-7-yl (2E)-3-(4-ethoxyphenyl)prop-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

0978-8402

Molecular Formula

C21H18O5 (C21 H18 O5)

Compound Name

4-methyl-2-oxo-2H-chromen-7-yl (2E)-3-(4-ethoxyphenyl)prop-2-enoate

IUPAC name

4-methyl-2-oxo-2H-chromen-7-yl (2E)-3-(4-ethoxyphenyl)prop-2-enoate

SMILES

CCOc1ccc(/C=C/C(Oc(cc2)cc(O3)c2C(C)=CC3=O)=O)cc1

InChI

InChI=1S/C21H18O5/c1-3-24-16-7-4-15(5-8-16)6-11-20(22)25-17-9-10-18-14(2)12-21(23)26-19(18)13-17/h4-13H,3H2,1-2H3

InChI Key

ZEUJCNXVUGUJID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01532288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.046

Distribution Coefficient, logD

4.046

Water Solubility, LogSw

-4.27

Polar Surface Area

47.552

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

0978-8402 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0978-8402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0978-8402?
Check Price and Availability of 0978-8402, 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 0978-8402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0978-8402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0978-8402
  • 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 0978-8402 available by request