J084-0415 Screening compound: 4-methoxy-2-({[5-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)-3,5-dimethylpyridine

J084-0415 Screening compound: 4-methoxy-2-({[5-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)-3,5-dimethylpyridine
J084-0415 Screening compound: 4-methoxy-2-({[5-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)-3,5-dimethylpyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound J084-0415
4-methoxy-2-({[5-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)-3,5-dimethylpyridine

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

J084-0415

Molecular Formula

C25H23N5O2S (C25 H23 N5 O2 S)

Compound Name

4-methoxy-2-({[5-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)-3,5-dimethylpyridine

IUPAC name

4-methoxy-2-({[5-(4-methoxyphenyl)-[124]triazolo[43-c]quinazolin-3-yl]sulfanyl}methyl)-35-dimethylpyridine

SMILES

Cc1cnc(CSc2nnc3n2c(-c(cc2)ccc2OC)nc2c3cccc2)c(C)c1OC

InChI

InChI=1S/C25H23N5O2S/c1-15-13-26-21(16(2)22(15)32-4)14-33-25-29-28-24-19-7-5-6-8-20(19)27-23(30(24)25)17-9-11-18(31-3)12-10-17/h5-13H,14H2,1-4H3

InChI Key

VOINVKVUYUTGBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.244

Distribution Coefficient, logD

5.126

Water Solubility, LogSw

-5.23

Polar Surface Area

55.974

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

J084-0415 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

Antimitotic Tubulin Library (17355 compounds)

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

CNS Targets (44014 compounds)

KRAS-Targeted Library (16000 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J084-0415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J084-0415?
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What is the minimum amount of J084-0415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J084-0415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J084-0415
  • 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 J084-0415 available by request