L683-0391 Screening compound: 2-{[6-methyl-4-(4-methylbenzyl)-5-oxo-5,6-dihydro-4H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N~1~-phenylacetamide

L683-0391 Screening compound: 2-{[6-methyl-4-(4-methylbenzyl)-5-oxo-5,6-dihydro-4H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N~1~-phenylacetamide
L683-0391 Screening compound: 2-{[6-methyl-4-(4-methylbenzyl)-5-oxo-5,6-dihydro-4H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N~1~-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L683-0391
2-{[6-methyl-4-(4-methylbenzyl)-5-oxo-5,6-dihydro-4H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N~1~-phenylacetamide

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

L683-0391

Molecular Formula

C23H21N7O2S (C23 H21 N7 O2 S)

Compound Name

2-{[6-methyl-4-(4-methylbenzyl)-5-oxo-5,6-dihydro-4H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N~1~-phenylacetamide

IUPAC name

2-({5-methyl-8-[(4-methylphenyl)methyl]-7-oxo-14581011-hexaazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-12-yl}sulfanyl)-N-phenylacetamide

SMILES

Cc1ccc(CN(c(n2-c3c4n(C)nc3)nnc2SCC(Nc2ccccc2)=O)C4=O)cc1

InChI

InChI=1S/C23H21N7O2S/c1-15-8-10-16(11-9-15)13-29-21(32)20-18(12-24-28(20)2)30-22(29)26-27-23(30)33-14-19(31)25-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H,25,31)

InChI Key

RNBUXOLBNYDIRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27469530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.781

Distribution Coefficient, logD

2.781

Water Solubility, LogSw

-3.18

Polar Surface Area

76.589

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

L683-0391 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Kinases
  • Proteases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L683-0391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L683-0391?
Check Price and Availability of L683-0391, 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 L683-0391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L683-0391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L683-0391
  • 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 L683-0391 available by request