C786-2468 Screening compound: N-[(4-fluorophenyl)methyl]-2-{9-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide

C786-2468 Screening compound: N-[(4-fluorophenyl)methyl]-2-{9-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide
C786-2468 Screening compound: N-[(4-fluorophenyl)methyl]-2-{9-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C786-2468
N-[(4-fluorophenyl)methyl]-2-{9-methoxy-4-methyl-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

C786-2468

Molecular Formula

C21H19FN4O3 (C21 H19 FN4 O3)

Compound Name

N-[(4-fluorophenyl)methyl]-2-{9-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide

IUPAC name

N-[(4-fluorophenyl)methyl]-2-{9-methoxy-4-methyl-1-oxo-1H2H-[124]triazino[45-a]indol-2-yl}acetamide

SMILES

CC(n(c1c2)c3c2c(OC)ccc3)=NN(CC(NCc(cc2)ccc2F)=O)C1=O

InChI

InChI=1S/C21H19FN4O3/c1-13-24-25(12-20(27)23-11-14-6-8-15(22)9-7-14)21(28)18-10-16-17(26(13)18)4-3-5-19(16)29-2/h3-10H,11-12H2,1-2H3,(H,23,27)

InChI Key

XGRHKUMEICKXJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.659

Distribution Coefficient, logD

2.659

Water Solubility, LogSw

-2.86

Polar Surface Area

61.478

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C786-2468 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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 C786-2468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C786-2468?
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What is the minimum amount of C786-2468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C786-2468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C786-2468
  • 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 C786-2468 available by request