Y040-1242 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 3-methoxybenzoate

Y040-1242 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 3-methoxybenzoate
Y040-1242 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 3-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-1242
4-oxo-1H,2H,3H,4H-cyclopenta[c]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

Y040-1242

Molecular Formula

C20H16O5 (C20 H16 O5)

Compound Name

4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 3-methoxybenzoate

IUPAC name

4-oxo-1H2H3H4H-cyclopenta[c]chromen-7-yl 3-methoxybenzoate

SMILES

COc1cccc(C(Oc(cc2)cc(O3)c2C(CCC2)=C2C3=O)=O)c1

InChI

InChI=1S/C20H16O5/c1-23-13-5-2-4-12(10-13)19(21)24-14-8-9-16-15-6-3-7-17(15)20(22)25-18(16)11-14/h2,4-5,8-11H,3,6-7H2,1H3

InChI Key

BYNAQMSXJXRJGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03661834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.34

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

3.397

Distribution Coefficient, logD

3.397

Water Solubility, LogSw

-3.73

Polar Surface Area

49.368

Acid Dissociation Constant (pKa)

24.14

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

Y040-1242 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anti-Inflammatory Library (24602 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y040-1242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-1242?
Check Price and Availability of Y040-1242, 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 Y040-1242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-1242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-1242
  • 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 Y040-1242 available by request