J084-0450 Screening compound: N-(3-cyanophenyl)-2-{[5-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide

J084-0450 Screening compound: N-(3-cyanophenyl)-2-{[5-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
J084-0450 Screening compound: N-(3-cyanophenyl)-2-{[5-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J084-0450
N-(3-cyanophenyl)-2-{[5-(4-methoxyphenyl)-[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

J084-0450

Molecular Formula

C25H18N6O2S (C25 H18 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c(n12)nc(cccc3)c3c2nnc1SCC(Nc1cc(C#N)ccc1)=O

InChI

InChI=1S/C25H18N6O2S/c1-33-19-11-9-17(10-12-19)23-28-21-8-3-2-7-20(21)24-29-30-25(31(23)24)34-15-22(32)27-18-6-4-5-16(13-18)14-26/h2-13H,15H2,1H3,(H,27,32)

InChI Key

UOCGNAPCZADHJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.704

Distribution Coefficient, logD

4.700

Water Solubility, LogSw

-4.66

Polar Surface Area

78.060

Acid Dissociation Constant (pKa)

11.01

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

References: we are preparing a list of scientific research reports with J084-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J084-0450?
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What is the minimum amount of J084-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J084-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J084-0450
  • 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 J084-0450 available by request