C786-2625 Screening compound: 2-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-9-methoxy-4-methyl-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one

C786-2625 Screening compound: 2-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-9-methoxy-4-methyl-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one
C786-2625 Screening compound: 2-[2-(4-cyclohexylpiperazin-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 C786-2625
2-[2-(4-cyclohexylpiperazin-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

C786-2625

Molecular Formula

C24H31N5O3 (C24 H31 N5 O3)

Compound Name

2-[2-(4-cyclohexylpiperazin-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-cyclohexylpiperazin-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)CCN2C2CCCCC2)=O)C1=O

InChI

InChI=1S/C24H31N5O3/c1-17-25-28(24(31)21-15-19-20(29(17)21)9-6-10-22(19)32-2)16-23(30)27-13-11-26(12-14-27)18-7-4-3-5-8-18/h6,9-10,15,18H,3-5,7-8,11-14,16H2,1-2H3

InChI Key

AIISUQNSVNUSAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.659

Distribution Coefficient, logD

2.496

Water Solubility, LogSw

-2.73

Polar Surface Area

56.492

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.20

C786-2625 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C786-2625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C786-2625?
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What is the minimum amount of C786-2625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C786-2625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C786-2625
  • 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 C786-2625 available by request