Y040-0787 Screening compound: methyl 5-[({3-methyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-1-yl}oxy)methyl]furan-2-carboxylate

Y040-0787 Screening compound: methyl 5-[({3-methyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-1-yl}oxy)methyl]furan-2-carboxylate
Y040-0787 Screening compound: methyl 5-[({3-methyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-1-yl}oxy)methyl]furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-0787
methyl 5-[({3-methyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-1-yl}oxy)methyl]furan-2-carboxylate

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

Y040-0787

Molecular Formula

C21H20O6 (C21 H20 O6)

Compound Name

methyl 5-[({3-methyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-1-yl}oxy)methyl]furan-2-carboxylate

IUPAC name

methyl 5-[({3-methyl-6-oxo-6H7H8H9H10H-cyclohexa[c]chromen-1-yl}oxy)methyl]furan-2-carboxylate

SMILES

Cc1cc(OC(C2=C3CCCC2)=O)c3c(OCc2ccc(C(OC)=O)o2)c1

InChI

InChI=1S/C21H20O6/c1-12-9-17(25-11-13-7-8-16(26-13)21(23)24-2)19-14-5-3-4-6-15(14)20(22)27-18(19)10-12/h7-10H,3-6,11H2,1-2H3

InChI Key

MKKXFJVEZIBZJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02059387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.690

Distribution Coefficient, logD

4.690

Water Solubility, LogSw

-4.71

Polar Surface Area

57.410

Acid Dissociation Constant (pKa)

26.89

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

Y040-0787 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y040-0787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-0787?
Check Price and Availability of Y040-0787, 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 Y040-0787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-0787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-0787
  • 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 Y040-0787 available by request