C786-0102 Screening compound: N-[(4-fluorophenyl)methyl]-2-{1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide

C786-0102 Screening compound: N-[(4-fluorophenyl)methyl]-2-{1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide
C786-0102 Screening compound: N-[(4-fluorophenyl)methyl]-2-{1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C786-0102
N-[(4-fluorophenyl)methyl]-2-{1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide

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

C786-0102

Molecular Formula

C19H15FN4O2 (C19 H15 FN4 O2)

Compound Name

N-[(4-fluorophenyl)methyl]-2-{1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide

IUPAC name

N-[(4-fluorophenyl)methyl]-2-{1-oxo-1H2H-[124]triazino[45-a]indol-2-yl}acetamide

SMILES

O=C(CN(C(c1c2)=O)N=Cn1c1c2cccc1)NCc(cc1)ccc1F

InChI

InChI=1S/C19H15FN4O2/c20-15-7-5-13(6-8-15)10-21-18(25)11-24-19(26)17-9-14-3-1-2-4-16(14)23(17)12-22-24/h1-9,12H,10-11H2,(H,21,25)

InChI Key

HLOMLWBHIFYLNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.991

Distribution Coefficient, logD

1.991

Water Solubility, LogSw

-2.78

Polar Surface Area

54.155

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

C786-0102 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C786-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C786-0102?
Check Price and Availability of C786-0102, 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 C786-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C786-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C786-0102
  • 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 C786-0102 available by request