Y040-1830 Screening compound: methyl 4-{[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]methyl}benzoate

Y040-1830 Screening compound: methyl 4-{[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]methyl}benzoate
Y040-1830 Screening compound: methyl 4-{[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-1830
methyl 4-{[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]methyl}benzoate

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

Y040-1830

Molecular Formula

C21H20O5 (C21 H20 O5)

Compound Name

methyl 4-{[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]methyl}benzoate

IUPAC name

methyl 4-{[(347-trimethyl-2-oxo-2H-chromen-5-yl)oxy]methyl}benzoate

SMILES

Cc1cc(OC(C(C)=C2C)=O)c2c(OCc(cc2)ccc2C(OC)=O)c1

InChI

InChI=1S/C21H20O5/c1-12-9-17(19-13(2)14(3)20(22)26-18(19)10-12)25-11-15-5-7-16(8-6-15)21(23)24-4/h5-10H,11H2,1-4H3

InChI Key

NONQWJZWYMAWLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03713220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.846

Distribution Coefficient, logD

4.846

Water Solubility, LogSw

-5.08

Polar Surface Area

49.648

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

Y040-1830 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y040-1830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-1830?
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What is the minimum amount of Y040-1830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-1830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-1830
  • 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 Y040-1830 available by request