C786-4638 Screening compound: 2-{4-ethyl-8-fluoro-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-[3-(morpholin-4-yl)propyl]acetamide

C786-4638 Screening compound: 2-{4-ethyl-8-fluoro-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-[3-(morpholin-4-yl)propyl]acetamide
C786-4638 Screening compound: 2-{4-ethyl-8-fluoro-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-[3-(morpholin-4-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C786-4638
2-{4-ethyl-8-fluoro-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-[3-(morpholin-4-yl)propyl]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

C786-4638

Molecular Formula

C21H26FN5O3 (C21 H26 FN5 O3)

Compound Name

2-{4-ethyl-8-fluoro-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-[3-(morpholin-4-yl)propyl]acetamide

IUPAC name

2-{4-ethyl-8-fluoro-1-oxo-1H2H-[124]triazino[45-a]indol-2-yl}-N-[3-(morpholin-4-yl)propyl]acetamide

SMILES

CCC(n(c1c2)c(cc3)c2cc3F)=NN(CC(NCCCN2CCOCC2)=O)C1=O

InChI

InChI=1S/C21H26FN5O3/c1-2-19-24-26(14-20(28)23-6-3-7-25-8-10-30-11-9-25)21(29)18-13-15-12-16(22)4-5-17(15)27(18)19/h4-5,12-13H,2-3,6-11,14H2,1H3,(H,23,28)

InChI Key

HXMIKWIQDOPIMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.065

Distribution Coefficient, logD

0.641

Water Solubility, LogSw

-2.42

Polar Surface Area

66.672

Acid Dissociation Constant (pKa)

16.02

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

C786-4638 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

PI3K-Targeted Library (17255 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
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C786-4638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C786-4638?
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What is the minimum amount of C786-4638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C786-4638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C786-4638
  • 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 C786-4638 available by request