C888-0326 Screening compound: ETHYL 2-(2-{8-METHYL-1-OXO-1H,2H-[1,2,4]TRIAZINO[4,5-A]INDOL-2-YL}ACETAMIDO)BENZOATE

C888-0326 Screening compound: ETHYL 2-(2-{8-METHYL-1-OXO-1H,2H-[1,2,4]TRIAZINO[4,5-A]INDOL-2-YL}ACETAMIDO)BENZOATE
C888-0326 Screening compound: ETHYL 2-(2-{8-METHYL-1-OXO-1H,2H-[1,2,4]TRIAZINO[4,5-A]INDOL-2-YL}ACETAMIDO)BENZOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound C888-0326
ETHYL 2-(2-{8-METHYL-1-OXO-1H,2H-[1,2,4]TRIAZINO[4,5-A]INDOL-2-YL}ACETAMIDO)BENZOATE

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

C888-0326

Molecular Formula

C22H20N4O4 (C22 H20 N4 O4)

Compound Name

ETHYL 2-(2-{8-METHYL-1-OXO-1H,2H-[1,2,4]TRIAZINO[4,5-A]INDOL-2-YL}ACETAMIDO)BENZOATE

IUPAC name

n/a

SMILES

CCOC(c(cccc1)c1NC(CN(C(c1c2)=O)N=Cn1c1c2cc(C)cc1)=O)=O

InChI

InChI=1S/C22H20N4O4/c1-3-30-22(29)16-6-4-5-7-17(16)24-20(27)12-26-21(28)19-11-15-10-14(2)8-9-18(15)25(19)13-23-26/h4-11,13H,3,12H2,1-2H3,(H,24,27)

InChI Key

AUEHPRFKFRXAQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.165

Distribution Coefficient, logD

3.157

Water Solubility, LogSw

-3.35

Polar Surface Area

72.889

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

C888-0326 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C888-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C888-0326?
Check Price and Availability of C888-0326, 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 C888-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C888-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C888-0326
  • 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 C888-0326 available by request