2712-3502 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 4-methoxybenzoate

2712-3502 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 4-methoxybenzoate
2712-3502 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 4-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2712-3502
4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 4-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

2712-3502

Molecular Formula

C20H16O5 (C20 H16 O5)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1C(Oc(cc1)cc(O2)c1C(CCC1)=C1C2=O)=O

InChI

InChI=1S/C20H16O5/c1-23-13-7-5-12(6-8-13)19(21)24-14-9-10-16-15-3-2-4-17(15)20(22)25-18(16)11-14/h5-11H,2-4H2,1H3

InChI Key

CZQBRFPUGDMJKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01408660

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

3.438

Distribution Coefficient, logD

3.438

Water Solubility, LogSw

-3.68

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

2712-3502 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system
  • Cancer
  • 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 2712-3502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2712-3502?
Check Price and Availability of 2712-3502, 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 2712-3502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2712-3502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2712-3502
  • 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 2712-3502 available by request