J084-0196 Screening compound: methyl 7-hydroxy-5-[({5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl}sulfanyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

J084-0196 Screening compound: methyl 7-hydroxy-5-[({5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl}sulfanyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
J084-0196 Screening compound: methyl 7-hydroxy-5-[({5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl}sulfanyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound J084-0196
methyl 7-hydroxy-5-[({5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl}sulfanyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

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

J084-0196

Molecular Formula

C24H17N7O3S (C24 H17 N7 O3 S)

Compound Name

methyl 7-hydroxy-5-[({5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl}sulfanyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

IUPAC name

methyl 7-hydroxy-5-[({5-phenyl-[124]triazolo[43-c]quinazolin-3-yl}sulfanyl)methyl]pyrazolo[15-a]pyrimidine-3-carboxylate

SMILES

COC(c(cnn12)c2nc(CSc2nnc3n2c(-c2ccccc2)nc2c3cccc2)cc1O)=O

InChI

InChI=1S/C24H17N7O3S/c1-34-23(33)17-12-25-31-19(32)11-15(26-21(17)31)13-35-24-29-28-22-16-9-5-6-10-18(16)27-20(30(22)24)14-7-3-2-4-8-14/h2-12,32H,13H2,1H3

InChI Key

VPMKYUVBNJZOME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27224451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.931

Distribution Coefficient, logD

1.456

Water Solubility, LogSw

-3.89

Polar Surface Area

88.652

Acid Dissociation Constant (pKa)

4.93

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

J084-0196 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

KRAS-Targeted Library (16000 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with J084-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J084-0196?
Check Price and Availability of J084-0196, 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 J084-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J084-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J084-0196
  • 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 J084-0196 available by request