J084-0471 Screening compound: 2-{[5-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)propan-1-one

J084-0471 Screening compound: 2-{[5-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)propan-1-one
J084-0471 Screening compound: 2-{[5-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J084-0471
2-{[5-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)propan-1-one

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

J084-0471

Molecular Formula

C23H23N5O2S (C23 H23 N5 O2 S)

Compound Name

2-{[5-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)propan-1-one

IUPAC name

2-{[5-(4-methoxyphenyl)-[124]triazolo[43-c]quinazolin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)propan-1-one

SMILES

CC(C(N1CCCC1)=O)Sc1nnc2n1c(-c(cc1)ccc1OC)nc1c2cccc1

InChI

InChI=1S/C23H23N5O2S/c1-15(22(29)27-13-5-6-14-27)31-23-26-25-21-18-7-3-4-8-19(18)24-20(28(21)23)16-9-11-17(30-2)12-10-16/h3-4,7-12,15H,5-6,13-14H2,1-2H3/t15-/m0/s1

InChI Key

FTCCAGWKOQGWPI-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27224510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

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

4.407

Distribution Coefficient, logD

4.402

Water Solubility, LogSw

-4.25

Polar Surface Area

55.140

Acid Dissociation Constant (pKa)

16.64

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

J084-0471 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J084-0471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J084-0471?
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What is the minimum amount of J084-0471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J084-0471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J084-0471
  • 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 J084-0471 available by request