2198-3942 Screening compound: 7-ETHOXY-1H,2H,3H,4H-CYCLOPENTA[C]CHROMEN-4-ONE

2198-3942 Screening compound: 7-ETHOXY-1H,2H,3H,4H-CYCLOPENTA[C]CHROMEN-4-ONE
2198-3942 Screening compound: 7-ETHOXY-1H,2H,3H,4H-CYCLOPENTA[C]CHROMEN-4-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 2198-3942
7-ETHOXY-1H,2H,3H,4H-CYCLOPENTA[C]CHROMEN-4-ONE

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

2198-3942

Molecular Formula

C14H14O3 (C14 H14 O3)

Compound Name

7-ETHOXY-1H,2H,3H,4H-CYCLOPENTA[C]CHROMEN-4-ONE

IUPAC name

n/a

SMILES

CCOc(cc1)cc(O2)c1C(CCC1)=C1C2=O

InChI

InChI=1S/C14H14O3/c1-2-16-9-6-7-11-10-4-3-5-12(10)14(15)17-13(11)8-9/h6-8H,2-5H2,1H3

InChI Key

APEGUETWMHRADV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01035884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

230.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.811

Distribution Coefficient, logD

2.811

Water Solubility, LogSw

-3.12

Polar Surface Area

28.570

Acid Dissociation Constant (pKa)

24.14

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

2198-3942 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2198-3942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2198-3942?
Check Price and Availability of 2198-3942, 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 2198-3942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2198-3942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2198-3942
  • 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 2198-3942 available by request