0978-8330 Screening compound: 4-methyl-2-oxo-2H-chromen-7-yl (2E)-3-(3-iodophenyl)prop-2-enoate

0978-8330 Screening compound: 4-methyl-2-oxo-2H-chromen-7-yl (2E)-3-(3-iodophenyl)prop-2-enoate
0978-8330 Screening compound: 4-methyl-2-oxo-2H-chromen-7-yl (2E)-3-(3-iodophenyl)prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0978-8330
4-methyl-2-oxo-2H-chromen-7-yl (2E)-3-(3-iodophenyl)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

0978-8330

Molecular Formula

C19H13IO4 (C19 H13 IO4)

Compound Name

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

IUPAC name

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

SMILES

CC(c(ccc(OC(/C=C/c1cccc(I)c1)=O)c1)c1O1)=CC1=O

InChI

InChI=1S/C19H13IO4/c1-12-9-19(22)24-17-11-15(6-7-16(12)17)23-18(21)8-5-13-3-2-4-14(20)10-13/h2-11H,1H3

InChI Key

RLWJCIQUXUOMQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00993947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.21

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

4.703

Distribution Coefficient, logD

4.703

Water Solubility, LogSw

-4.65

Polar Surface Area

40.429

Acid Dissociation Constant (pKa)

31.68

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

0978-8330 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 0978-8330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0978-8330?
Check Price and Availability of 0978-8330, 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 0978-8330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0978-8330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0978-8330
  • 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 0978-8330 available by request