C786-2648 Screening compound: 2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-9-methoxy-4-methyl-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one

C786-2648 Screening compound: 2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-9-methoxy-4-methyl-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one
C786-2648 Screening compound: 2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-9-methoxy-4-methyl-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C786-2648
2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-9-methoxy-4-methyl-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one

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

C786-2648

Molecular Formula

C24H24FN5O3 (C24 H24 FN5 O3)

Compound Name

2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-9-methoxy-4-methyl-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one

IUPAC name

2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-9-methoxy-4-methyl-1H2H-[124]triazino[45-a]indol-1-one

SMILES

CC(n(c1c2)c3c2c(OC)ccc3)=NN(CC(N(CC2)CCN2c(cc2)ccc2F)=O)C1=O

InChI

InChI=1S/C24H24FN5O3/c1-16-26-29(24(32)21-14-19-20(30(16)21)4-3-5-22(19)33-2)15-23(31)28-12-10-27(11-13-28)18-8-6-17(25)7-9-18/h3-9,14H,10-13,15H2,1-2H3

InChI Key

YADMHWHHKHBZRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.788

Distribution Coefficient, logD

2.787

Water Solubility, LogSw

-2.96

Polar Surface Area

56.659

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C786-2648 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C786-2648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C786-2648?
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What is the minimum amount of C786-2648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C786-2648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C786-2648
  • 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 C786-2648 available by request