C795-0237 Screening compound: 3-[2-(AZEPAN-1-YL)-2-OXOETHYL]-5-[(4-METHYLPHENYL)METHYL]-3H,4H,5H-PYRIDAZINO[4,5-B]INDOL-4-ONE

C795-0237 Screening compound: 3-[2-(AZEPAN-1-YL)-2-OXOETHYL]-5-[(4-METHYLPHENYL)METHYL]-3H,4H,5H-PYRIDAZINO[4,5-B]INDOL-4-ONE
C795-0237 Screening compound: 3-[2-(AZEPAN-1-YL)-2-OXOETHYL]-5-[(4-METHYLPHENYL)METHYL]-3H,4H,5H-PYRIDAZINO[4,5-B]INDOL-4-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0237
3-[2-(AZEPAN-1-YL)-2-OXOETHYL]-5-[(4-METHYLPHENYL)METHYL]-3H,4H,5H-PYRIDAZINO[4,5-B]INDOL-4-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

C795-0237

Molecular Formula

C26H28N4O2 (C26 H28 N4 O2)

Compound Name

3-[2-(AZEPAN-1-YL)-2-OXOETHYL]-5-[(4-METHYLPHENYL)METHYL]-3H,4H,5H-PYRIDAZINO[4,5-B]INDOL-4-ONE

IUPAC name

n/a

SMILES

Cc1ccc(Cn2c(C(N(CC(N3CCCCCC3)=O)N=C3)=O)c3c3c2cccc3)cc1

InChI

InChI=1S/C26H28N4O2/c1-19-10-12-20(13-11-19)17-29-23-9-5-4-8-21(23)22-16-27-30(26(32)25(22)29)18-24(31)28-14-6-2-3-7-15-28/h4-5,8-13,16H,2-3,6-7,14-15,17-18H2,1H3

InChI Key

IEVDJLFQDLTZTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.53

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

4.141

Distribution Coefficient, logD

4.141

Water Solubility, LogSw

-4.07

Polar Surface Area

45.795

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

C795-0237 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C795-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0237?
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What is the minimum amount of C795-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0237
  • 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 C795-0237 available by request