C786-2617 Screening compound: 1-(2-{9-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetyl)piperidine-4-carboxamide

C786-2617 Screening compound: 1-(2-{9-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetyl)piperidine-4-carboxamide
C786-2617 Screening compound: 1-(2-{9-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C786-2617
1-(2-{9-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetyl)piperidine-4-carboxamide

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

C786-2617

Molecular Formula

C20H23N5O4 (C20 H23 N5 O4)

Compound Name

1-(2-{9-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetyl)piperidine-4-carboxamide

IUPAC name

1-(2-{9-methoxy-4-methyl-1-oxo-1H2H-[124]triazino[45-a]indol-2-yl}acetyl)piperidine-4-carboxamide

SMILES

CC(n(c1c2)c3c2c(OC)ccc3)=NN(CC(N(CC2)CCC2C(N)=O)=O)C1=O

InChI

InChI=1S/C20H23N5O4/c1-12-22-24(11-18(26)23-8-6-13(7-9-23)19(21)27)20(28)16-10-14-15(25(12)16)4-3-5-17(14)29-2/h3-5,10,13H,6-9,11H2,1-2H3,(H2,21,27)

InChI Key

VJWMSUJJAKXQKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.381

Distribution Coefficient, logD

0.381

Water Solubility, LogSw

-1.68

Polar Surface Area

87.458

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C786-2617 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic

References: we are preparing a list of scientific research reports with C786-2617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C786-2617?
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What is the minimum amount of C786-2617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C786-2617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C786-2617
  • 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 C786-2617 available by request