4986-1592 Screening compound: propyl 2-({7-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-9-yl}oxy)acetate

4986-1592 Screening compound: propyl 2-({7-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-9-yl}oxy)acetate
4986-1592 Screening compound: propyl 2-({7-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-9-yl}oxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4986-1592
propyl 2-({7-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-9-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

4986-1592

Molecular Formula

C18H20O5 (C18 H20 O5)

Compound Name

propyl 2-({7-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-9-yl}oxy)acetate

IUPAC name

propyl 2-({7-methyl-4-oxo-1H2H3H4H-cyclopenta[c]chromen-9-yl}oxy)acetate

SMILES

CCCOC(COc1cc(C)cc(O2)c1C(CCC1)=C1C2=O)=O

InChI

InChI=1S/C18H20O5/c1-3-7-21-16(19)10-22-14-8-11(2)9-15-17(14)12-5-4-6-13(12)18(20)23-15/h8-9H,3-7,10H2,1-2H3

InChI Key

DGDNLMQVVKQJKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03029806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.277

Distribution Coefficient, logD

3.277

Water Solubility, LogSw

-3.34

Polar Surface Area

49.485

Acid Dissociation Constant (pKa)

24.14

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

4986-1592 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 4986-1592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4986-1592?
Check Price and Availability of 4986-1592, 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 4986-1592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4986-1592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4986-1592
  • 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 4986-1592 available by request