C786-2644 Screening compound: 9-methoxy-4-methyl-2-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one

C786-2644 Screening compound: 9-methoxy-4-methyl-2-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one
C786-2644 Screening compound: 9-methoxy-4-methyl-2-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C786-2644
9-methoxy-4-methyl-2-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-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

C786-2644

Molecular Formula

C23H24N6O3 (C23 H24 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(n(c1c2)c3c2c(OC)ccc3)=NN(CC(N(CC2)CCN2c2ncccc2)=O)C1=O

InChI

InChI=1S/C23H24N6O3/c1-16-25-28(23(31)19-14-17-18(29(16)19)6-5-7-20(17)32-2)15-22(30)27-12-10-26(11-13-27)21-8-3-4-9-24-21/h3-9,14H,10-13,15H2,1-2H3

InChI Key

OLUTVWRTMTWUSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.304

Distribution Coefficient, logD

2.296

Water Solubility, LogSw

-2.62

Polar Surface Area

65.170

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C786-2644 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C786-2644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C786-2644?
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What is the minimum amount of C786-2644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C786-2644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C786-2644
  • 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 C786-2644 available by request