4248-0369 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl cyclohexanecarboxylate

4248-0369 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl cyclohexanecarboxylate
4248-0369 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl cyclohexanecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4248-0369
4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl cyclohexanecarboxylate

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

4248-0369

Molecular Formula

C19H20O4 (C19 H20 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1CCCCC1)Oc(cc1)cc(O2)c1C(CCC1)=C1C2=O

InChI

InChI=1S/C19H20O4/c20-18(12-5-2-1-3-6-12)22-13-9-10-15-14-7-4-8-16(14)19(21)23-17(15)11-13/h9-12H,1-8H2

InChI Key

NSYCDEJRGSRQAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02079500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.950

Distribution Coefficient, logD

3.950

Water Solubility, LogSw

-4.05

Polar Surface Area

42.017

Acid Dissociation Constant (pKa)

21.38

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

4248-0369 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 4248-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4248-0369?
Check Price and Availability of 4248-0369, 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 4248-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4248-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4248-0369
  • 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 4248-0369 available by request