J084-0877 Screening compound: 2-{[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)propan-1-one

J084-0877 Screening compound: 2-{[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)propan-1-one
J084-0877 Screening compound: 2-{[5-(4-methylphenyl)-[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 J084-0877
2-{[5-(4-methylphenyl)-[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

J084-0877

Molecular Formula

C23H23N5OS (C23 H23 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C(N1CCCC1)=O)Sc1nnc2n1c(-c1ccc(C)cc1)nc1c2cccc1

InChI

InChI=1S/C23H23N5OS/c1-15-9-11-17(12-10-15)20-24-19-8-4-3-7-18(19)21-25-26-23(28(20)21)30-16(2)22(29)27-13-5-6-14-27/h3-4,7-12,16H,5-6,13-14H2,1-2H3/t16-/m0/s1

InChI Key

YPLSGEOYXNNTLF-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27224550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.848

Distribution Coefficient, logD

4.805

Water Solubility, LogSw

-4.76

Polar Surface Area

47.596

Acid Dissociation Constant (pKa)

16.64

Base Dissociation Constant (pKb)

6.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

J084-0877 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 J084-0877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J084-0877?
Check Price and Availability of J084-0877, 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 J084-0877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J084-0877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J084-0877
  • 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 J084-0877 available by request