5763-0113 Screening compound: 10,11,12,13-tetrahydro-5H-spiro[azepino[2,1-b]benzo[h]quinazoline-6,1'-cyclohexan]-7(9H)-one

5763-0113 Screening compound: 10,11,12,13-tetrahydro-5H-spiro[azepino[2,1-b]benzo[h]quinazoline-6,1'-cyclohexan]-7(9H)-one
5763-0113 Screening compound: 10,11,12,13-tetrahydro-5H-spiro[azepino[2,1-b]benzo[h]quinazoline-6,1'-cyclohexan]-7(9H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5763-0113
10,11,12,13-tetrahydro-5H-spiro[azepino[2,1-b]benzo[h]quinazoline-6,1'-cyclohexan]-7(9H)-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

5763-0113

Molecular Formula

C22H26N2O (C22 H26 N2 O)

Compound Name

10,11,12,13-tetrahydro-5H-spiro[azepino[2,1-b]benzo[h]quinazoline-6,1'-cyclohexan]-7(9H)-one

IUPAC name

3'10'-diazaspiro[cyclohexane-119'-tetracyclo[9.8.0.0^{39}.0^{1217}]nonadecane]-1'(11')9'12'(17')13'15'-pentaen-2'-one

SMILES

O=C1N(CCCCC2)C2=NC2=C1C1(CCCCC1)Cc1c2cccc1

InChI

InChI=1S/C22H26N2O/c25-21-19-20(23-18-11-3-1-8-14-24(18)21)17-10-5-4-9-16(17)15-22(19)12-6-2-7-13-22/h4-5,9-10H,1-3,6-8,11-15H2

InChI Key

DTKMVWZKEUHMRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00381412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.256

Distribution Coefficient, logD

4.233

Water Solubility, LogSw

-4.31

Polar Surface Area

26.498

Acid Dissociation Constant (pKa)

21.45

Base Dissociation Constant (pKb)

6.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

5763-0113 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

GPCR Targeted Library (31838 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5763-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5763-0113?
Check Price and Availability of 5763-0113, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5763-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5763-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5763-0113
  • 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 5763-0113 available by request