C786-4621 Screening compound: 2-{4-ethyl-8-fluoro-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-(3-phenylpropyl)acetamide

C786-4621 Screening compound: 2-{4-ethyl-8-fluoro-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-(3-phenylpropyl)acetamide
C786-4621 Screening compound: 2-{4-ethyl-8-fluoro-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-(3-phenylpropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C786-4621
2-{4-ethyl-8-fluoro-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-(3-phenylpropyl)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

C786-4621

Molecular Formula

C23H23FN4O2 (C23 H23 FN4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCC(n(c1c2)c(cc3)c2cc3F)=NN(CC(NCCCc2ccccc2)=O)C1=O

InChI

InChI=1S/C23H23FN4O2/c1-2-21-26-27(15-22(29)25-12-6-9-16-7-4-3-5-8-16)23(30)20-14-17-13-18(24)10-11-19(17)28(20)21/h3-5,7-8,10-11,13-14H,2,6,9,12,15H2,1H3,(H,25,29)

InChI Key

VOTSPNINJRZGHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.779

Distribution Coefficient, logD

3.779

Water Solubility, LogSw

-3.89

Polar Surface Area

54.781

Acid Dissociation Constant (pKa)

15.23

Base Dissociation Constant (pKb)

2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C786-4621 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C786-4621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C786-4621?
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What is the minimum amount of C786-4621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C786-4621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C786-4621
  • 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 C786-4621 available by request