5468-6698 Screening compound: 4-oxo-3-[2-(propan-2-yl)phenoxy]-4H-chromen-7-yl prop-2-en-1-yl carbonate

5468-6698 Screening compound: 4-oxo-3-[2-(propan-2-yl)phenoxy]-4H-chromen-7-yl prop-2-en-1-yl carbonate
5468-6698 Screening compound: 4-oxo-3-[2-(propan-2-yl)phenoxy]-4H-chromen-7-yl prop-2-en-1-yl carbonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5468-6698
4-oxo-3-[2-(propan-2-yl)phenoxy]-4H-chromen-7-yl prop-2-en-1-yl carbonate

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

5468-6698

Molecular Formula

C22H20O6 (C22 H20 O6)

Compound Name

4-oxo-3-[2-(propan-2-yl)phenoxy]-4H-chromen-7-yl prop-2-en-1-yl carbonate

IUPAC name

4-oxo-3-[2-(propan-2-yl)phenoxy]-4H-chromen-7-yl prop-2-en-1-yl carbonate

SMILES

CC(C)c(cccc1)c1OC1=COc(cc(cc2)OC(OCC=C)=O)c2C1=O

InChI

InChI=1S/C22H20O6/c1-4-11-25-22(24)27-15-9-10-17-19(12-15)26-13-20(21(17)23)28-18-8-6-5-7-16(18)14(2)3/h4-10,12-14H,1,11H2,2-3H3

InChI Key

NIIGJQBASWGPDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02963421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.041

Distribution Coefficient, logD

4.041

Water Solubility, LogSw

-4.32

Polar Surface Area

56.716

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 5468-6698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5468-6698?
Check Price and Availability of 5468-6698, 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 5468-6698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5468-6698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5468-6698
  • 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 5468-6698 available by request