4789-5090 Screening compound: cyclohexyl 2-({4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)acetate

4789-5090 Screening compound: cyclohexyl 2-({4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)acetate
4789-5090 Screening compound: cyclohexyl 2-({4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4789-5090
cyclohexyl 2-({4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)acetate

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

4789-5090

Molecular Formula

C20H22O5 (C20 H22 O5)

Compound Name

cyclohexyl 2-({4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)acetate

IUPAC name

cyclohexyl 2-({4-oxo-1H2H3H4H-cyclopenta[c]chromen-7-yl}oxy)acetate

SMILES

O=C(COc(cc1)cc(O2)c1C(CCC1)=C1C2=O)OC1CCCCC1

InChI

InChI=1S/C20H22O5/c21-19(24-13-5-2-1-3-6-13)12-23-14-9-10-16-15-7-4-8-17(15)20(22)25-18(16)11-14/h9-11,13H,1-8,12H2

InChI Key

YNLANUYJHPMLMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02969255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.542

Distribution Coefficient, logD

3.542

Water Solubility, LogSw

-3.65

Polar Surface Area

48.435

Acid Dissociation Constant (pKa)

24.14

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

4789-5090 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 4789-5090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-5090?
Check Price and Availability of 4789-5090, 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 4789-5090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-5090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-5090
  • 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 4789-5090 available by request