C888-0618 Screening compound: 4-ethyl-2-[(4-fluorophenyl)methyl]-8-methyl-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one

C888-0618 Screening compound: 4-ethyl-2-[(4-fluorophenyl)methyl]-8-methyl-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one
C888-0618 Screening compound: 4-ethyl-2-[(4-fluorophenyl)methyl]-8-methyl-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C888-0618
4-ethyl-2-[(4-fluorophenyl)methyl]-8-methyl-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

C888-0618

Molecular Formula

C20H18FN3O (C20 H18 FN3 O)

Compound Name

4-ethyl-2-[(4-fluorophenyl)methyl]-8-methyl-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one

IUPAC name

4-ethyl-2-[(4-fluorophenyl)methyl]-8-methyl-1H2H-[124]triazino[45-a]indol-1-one

SMILES

CCC(n(c1c2)c3c2cc(C)cc3)=NN(Cc(cc2)ccc2F)C1=O

InChI

InChI=1S/C20H18FN3O/c1-3-19-22-23(12-14-5-7-16(21)8-6-14)20(25)18-11-15-10-13(2)4-9-17(15)24(18)19/h4-11H,3,12H2,1-2H3

InChI Key

VFSVTSXVPMBTPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.325

Distribution Coefficient, logD

4.317

Water Solubility, LogSw

-4.30

Polar Surface Area

30.468

Acid Dissociation Constant (pKa)

23.20

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C888-0618 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C888-0618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C888-0618?
Check Price and Availability of C888-0618, 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 C888-0618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C888-0618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C888-0618
  • 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 C888-0618 available by request