8012-9753 Screening compound: 8-ethoxy-1,2,3-trimethyl-2H,4H-cyclohepta[c]pyrrol-4-one

8012-9753 Screening compound: 8-ethoxy-1,2,3-trimethyl-2H,4H-cyclohepta[c]pyrrol-4-one
8012-9753 Screening compound: 8-ethoxy-1,2,3-trimethyl-2H,4H-cyclohepta[c]pyrrol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9753
8-ethoxy-1,2,3-trimethyl-2H,4H-cyclohepta[c]pyrrol-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

8012-9753

Molecular Formula

C14H17NO2 (C14 H17 NO2)

Compound Name

8-ethoxy-1,2,3-trimethyl-2H,4H-cyclohepta[c]pyrrol-4-one

IUPAC name

8-ethoxy-123-trimethyl-2H4H-cyclohepta[c]pyrrol-4-one

SMILES

CCOC(c1c(C)n(C)c(C)c11)=CC=CC1=O

InChI

InChI=1S/C14H17NO2/c1-5-17-12-8-6-7-11(16)13-9(2)15(4)10(3)14(12)13/h6-8H,5H2,1-4H3

InChI Key

XXPKVYVZDYHEMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01073132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

231.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.196

Distribution Coefficient, logD

2.196

Water Solubility, LogSw

-1.92

Polar Surface Area

23.331

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

8012-9753 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-9753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9753?
Check Price and Availability of 8012-9753, 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 8012-9753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9753
  • 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 8012-9753 available by request