C786-1745 Screening compound: N-[(2,3-dimethoxyphenyl)methyl]-2-{4,8-dimethyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide

C786-1745 Screening compound: N-[(2,3-dimethoxyphenyl)methyl]-2-{4,8-dimethyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide
C786-1745 Screening compound: N-[(2,3-dimethoxyphenyl)methyl]-2-{4,8-dimethyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C786-1745
N-[(2,3-dimethoxyphenyl)methyl]-2-{4,8-dimethyl-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

C786-1745

Molecular Formula

C23H24N4O4 (C23 H24 N4 O4)

Compound Name

N-[(2,3-dimethoxyphenyl)methyl]-2-{4,8-dimethyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide

IUPAC name

N-[(23-dimethoxyphenyl)methyl]-2-{48-dimethyl-1-oxo-1H2H-[124]triazino[45-a]indol-2-yl}acetamide

SMILES

Cc(cc1)cc(cc23)c1n2C(C)=NN(CC(NCc(cccc1OC)c1OC)=O)C3=O

InChI

InChI=1S/C23H24N4O4/c1-14-8-9-18-17(10-14)11-19-23(29)26(25-15(2)27(18)19)13-21(28)24-12-16-6-5-7-20(30-3)22(16)31-4/h5-11H,12-13H2,1-4H3,(H,24,28)

InChI Key

PJGLRLNLIOEIOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.257

Distribution Coefficient, logD

3.257

Water Solubility, LogSw

-3.31

Polar Surface Area

69.195

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.09

C786-1745 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

References: we are preparing a list of scientific research reports with C786-1745 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C786-1745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C786-1745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C786-1745
  • 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 C786-1745 available by request