Screening compound: XXKAQJRAZJJGNE-UHFFFAOYSA-N

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

Chemical Structure Depiction of ChemDiv screening compound
XXKAQJRAZJJGNE-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

C338-0642

Molecular Formula

C21H21N5O5S (C21 H21 N5 O5 S)

Compound Name

2-[5-(3,4-dimethoxyphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-[3-(methylsulfanyl)phenyl]acetamide

IUPAC name

2-[5-(34-dimethoxyphenyl)-46-dioxo-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazol-1-yl]-N-[3-(methylsulfanyl)phenyl]acetamide

SMILES

COc(ccc(N(C(C1N(CC(Nc2cccc(SC)c2)=O)N=NC11)=O)C1=O)c1)c1OC

InChI

InChI=1S/C21H21N5O5S/c1-30-15-8-7-13(10-16(15)31-2)26-20(28)18-19(21(26)29)25(24-23-18)11-17(27)22-12-5-4-6-14(9-12)32-3/h4-10,18-19H,11H2,1-3H3,(H,22,27)

InChI Key

XXKAQJRAZJJGNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07656060

XXKAQJRAZJJGNE-UHFFFAOYSA-N in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

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

Frequently Asked Questions

How to purchase chemical compound XXKAQJRAZJJGNE-UHFFFAOYSA-N?
Check Price and Availability of XXKAQJRAZJJGNE-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 XXKAQJRAZJJGNE-UHFFFAOYSA-N you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for XXKAQJRAZJJGNE-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 XXKAQJRAZJJGNE-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 XXKAQJRAZJJGNE-UHFFFAOYSA-N available by request