Y040-3782 Screening compound: methyl 4-[({3-methoxy-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-4-yl}oxy)methyl]benzoate

Y040-3782 Screening compound: methyl 4-[({3-methoxy-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-4-yl}oxy)methyl]benzoate
Y040-3782 Screening compound: methyl 4-[({3-methoxy-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-4-yl}oxy)methyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3782
methyl 4-[({3-methoxy-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-4-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

Y040-3782

Molecular Formula

C23H22O6 (C23 H22 O6)

Compound Name

methyl 4-[({3-methoxy-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-4-yl}oxy)methyl]benzoate

IUPAC name

methyl 4-[({3-methoxy-6-oxo-6H7H8H9H10H-cyclohexa[c]chromen-4-yl}oxy)methyl]benzoate

SMILES

COC(c1ccc(COc(c(OC)ccc2C3=C4CCCC3)c2OC4=O)cc1)=O

InChI

InChI=1S/C23H22O6/c1-26-19-12-11-17-16-5-3-4-6-18(16)23(25)29-20(17)21(19)28-13-14-7-9-15(10-8-14)22(24)27-2/h7-12H,3-6,13H2,1-2H3

InChI Key

AURHJPUVKNJYDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05997302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.787

Distribution Coefficient, logD

4.787

Water Solubility, LogSw

-4.87

Polar Surface Area

56.970

Acid Dissociation Constant (pKa)

26.89

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

Y040-3782 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y040-3782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3782?
Check Price and Availability of Y040-3782, 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 Y040-3782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3782
  • 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 Y040-3782 available by request