J084-0770 Screening compound: N-(2-methoxyethyl)-2-{[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide

J084-0770 Screening compound: N-(2-methoxyethyl)-2-{[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
J084-0770 Screening compound: N-(2-methoxyethyl)-2-{[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J084-0770
N-(2-methoxyethyl)-2-{[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide

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

J084-0770

Molecular Formula

C21H21N5O2S (C21 H21 N5 O2 S)

Compound Name

N-(2-methoxyethyl)-2-{[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide

IUPAC name

N-(2-methoxyethyl)-2-{[5-(4-methylphenyl)-[124]triazolo[43-c]quinazolin-3-yl]sulfanyl}acetamide

SMILES

Cc(cc1)ccc1-c(n12)nc(cccc3)c3c2nnc1SCC(NCCOC)=O

InChI

InChI=1S/C21H21N5O2S/c1-14-7-9-15(10-8-14)19-23-17-6-4-3-5-16(17)20-24-25-21(26(19)20)29-13-18(27)22-11-12-28-2/h3-10H,11-13H2,1-2H3,(H,22,27)

InChI Key

QWYWZFAXQOKTHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27224534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.299

Distribution Coefficient, logD

3.270

Water Solubility, LogSw

-3.38

Polar Surface Area

63.237

Acid Dissociation Constant (pKa)

14.76

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

J084-0770 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 J084-0770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J084-0770?
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What is the minimum amount of J084-0770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J084-0770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J084-0770
  • 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 J084-0770 available by request