Y040-1856 Screening compound: 3,4,8-trimethyl-2-oxo-2H-chromen-7-yl 3-methoxybenzoate

Y040-1856 Screening compound: 3,4,8-trimethyl-2-oxo-2H-chromen-7-yl 3-methoxybenzoate
Y040-1856 Screening compound: 3,4,8-trimethyl-2-oxo-2H-chromen-7-yl 3-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-1856
3,4,8-trimethyl-2-oxo-2H-chromen-7-yl 3-methoxybenzoate

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

Y040-1856

Molecular Formula

C20H18O5 (C20 H18 O5)

Compound Name

3,4,8-trimethyl-2-oxo-2H-chromen-7-yl 3-methoxybenzoate

IUPAC name

348-trimethyl-2-oxo-2H-chromen-7-yl 3-methoxybenzoate

SMILES

Cc(c(O1)c(cc2)C(C)=C(C)C1=O)c2OC(c1cc(OC)ccc1)=O

InChI

InChI=1S/C20H18O5/c1-11-12(2)19(21)25-18-13(3)17(9-8-16(11)18)24-20(22)14-6-5-7-15(10-14)23-4/h5-10H,1-4H3

InChI Key

LNZJMUHNARCMOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03661847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.129

Distribution Coefficient, logD

4.129

Water Solubility, LogSw

-4.56

Polar Surface Area

48.853

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

Y040-1856 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with Y040-1856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-1856?
Check Price and Availability of Y040-1856, 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 Y040-1856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-1856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-1856
  • 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 Y040-1856 available by request