C786-0275 Screening compound: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one

C786-0275 Screening compound: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one
C786-0275 Screening compound: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C786-0275
2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-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

C786-0275

Molecular Formula

C24H24N4O2 (C24 H24 N4 O2)

Compound Name

2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one

IUPAC name

2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H2H-[124]triazino[45-a]indol-1-one

SMILES

O=C(CN(C(c1c2)=O)N=Cn1c1c2cccc1)N1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C24H24N4O2/c29-23(26-12-10-19(11-13-26)14-18-6-2-1-3-7-18)16-28-24(30)22-15-20-8-4-5-9-21(20)27(22)17-25-28/h1-9,15,17,19H,10-14,16H2

InChI Key

QCNPUZVZDPEBCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.305

Distribution Coefficient, logD

3.305

Water Solubility, LogSw

-3.51

Polar Surface Area

45.805

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C786-0275 in Drug Discovery

Included in Screening Libraries

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 C786-0275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C786-0275?
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What is the minimum amount of C786-0275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C786-0275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C786-0275
  • 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 C786-0275 available by request