4861-0120 Screening compound: 8-ethoxy-1,3-dimethyl-2-pentyl-2H,4H-cyclohepta[c]pyrrol-4-one

4861-0120 Screening compound: 8-ethoxy-1,3-dimethyl-2-pentyl-2H,4H-cyclohepta[c]pyrrol-4-one
4861-0120 Screening compound: 8-ethoxy-1,3-dimethyl-2-pentyl-2H,4H-cyclohepta[c]pyrrol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4861-0120
8-ethoxy-1,3-dimethyl-2-pentyl-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

4861-0120

Molecular Formula

C18H25NO2 (C18 H25 NO2)

Compound Name

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

IUPAC name

8-ethoxy-13-dimethyl-2-pentyl-2H4H-cyclohepta[c]pyrrol-4-one

SMILES

CCCCCn(c(C)c12)c(C)c2C(OCC)=CC=CC1=O

InChI

InChI=1S/C18H25NO2/c1-5-7-8-12-19-13(3)17-15(20)10-9-11-16(21-6-2)18(17)14(19)4/h9-11H,5-8,12H2,1-4H3

InChI Key

SDWPXJUXCLOURP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03445145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.341

Distribution Coefficient, logD

4.341

Water Solubility, LogSw

-4.08

Polar Surface Area

22.499

Acid Dissociation Constant (pKa)

27.09

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

4861-0120 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4861-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4861-0120?
Check Price and Availability of 4861-0120, 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 4861-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4861-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4861-0120
  • 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 4861-0120 available by request