C888-0179 Screening compound: 4-ethyl-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one

C888-0179 Screening compound: 4-ethyl-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one
C888-0179 Screening compound: 4-ethyl-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C888-0179
4-ethyl-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H,2H-[1,2,4]triazino[4,5-a]indol-1-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

C888-0179

Molecular Formula

C18H20N4O2 (C18 H20 N4 O2)

Compound Name

4-ethyl-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one

IUPAC name

4-ethyl-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H2H-[124]triazino[45-a]indol-1-one

SMILES

CCC(n(c1c2)c3c2cccc3)=NN(CC(N2CCCC2)=O)C1=O

InChI

InChI=1S/C18H20N4O2/c1-2-16-19-21(12-17(23)20-9-5-6-10-20)18(24)15-11-13-7-3-4-8-14(13)22(15)16/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3

InChI Key

BXFNWZUXQGYJOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.093

Distribution Coefficient, logD

2.093

Water Solubility, LogSw

-2.80

Polar Surface Area

47.226

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

C888-0179 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C888-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C888-0179?
Check Price and Availability of C888-0179, 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 C888-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C888-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C888-0179
  • 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 C888-0179 available by request