Screening compound: QGTRNKKHZDVDNA-UHFFFAOYSA-N

Screening compound: QGTRNKKHZDVDNA-UHFFFAOYSA-N
Screening compound: QGTRNKKHZDVDNA-UHFFFAOYSA-N alternative view

Chemical Structure Depiction of ChemDiv screening compound
QGTRNKKHZDVDNA-UHFFFAOYSA-N

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

5218-3288

Molecular Formula

C27H30N2O2S (C27 H30 N2 O2 S)

Compound Name

2-(cyclopentylsulfanyl)-3-[(furan-2-yl)methyl]-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one

IUPAC name

2-(cyclopentylsulfanyl)-3-[(furan-2-yl)methyl]-46-dihydro-3H-spiro[benzo[h]quinazoline-51'-cyclohexan]-4-one

SMILES

O=C1N(Cc2ccco2)C(SC2CCCC2)=NC2=C1C1(CCCCC1)Cc1c2cccc1

InChI

InChI=1S/C27H30N2O2S/c30-25-23-24(22-13-5-2-9-19(22)17-27(23)14-6-1-7-15-27)28-26(32-21-11-3-4-12-21)29(25)18-20-10-8-16-31-20/h2,5,8-10,13,16,21H,1,3-4,6-7,11-12,14-15,17-18H2

InChI Key

QGTRNKKHZDVDNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02987536

QGTRNKKHZDVDNA-UHFFFAOYSA-N in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

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

Frequently Asked Questions

How to purchase chemical compound QGTRNKKHZDVDNA-UHFFFAOYSA-N?
Check Price and Availability of QGTRNKKHZDVDNA-UHFFFAOYSA-N, 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 QGTRNKKHZDVDNA-UHFFFAOYSA-N you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for QGTRNKKHZDVDNA-UHFFFAOYSA-N
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for QGTRNKKHZDVDNA-UHFFFAOYSA-N
  • 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 QGTRNKKHZDVDNA-UHFFFAOYSA-N available by request