C786-2382 Screening compound: 2-{9-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-[(pyridin-2-yl)methyl]acetamide

C786-2382 Screening compound: 2-{9-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-[(pyridin-2-yl)methyl]acetamide
C786-2382 Screening compound: 2-{9-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-[(pyridin-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C786-2382
2-{9-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-[(pyridin-2-yl)methyl]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

C786-2382

Molecular Formula

C20H19N5O3 (C20 H19 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(n(c1c2)c3c2c(OC)ccc3)=NN(CC(NCc2ncccc2)=O)C1=O

InChI

InChI=1S/C20H19N5O3/c1-13-23-24(12-19(26)22-11-14-6-3-4-9-21-14)20(27)17-10-15-16(25(13)17)7-5-8-18(15)28-2/h3-10H,11-12H2,1-2H3,(H,22,26)

InChI Key

SUSCAFMSVYTQKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.720

Distribution Coefficient, logD

1.719

Water Solubility, LogSw

-2.26

Polar Surface Area

71.021

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C786-2382 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C786-2382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C786-2382?
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What is the minimum amount of C786-2382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C786-2382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C786-2382
  • 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 C786-2382 available by request