C445-0065 Screening compound: 2-({8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(2-methylphenyl)acetamide

C445-0065 Screening compound: 2-({8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(2-methylphenyl)acetamide
C445-0065 Screening compound: 2-({8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C445-0065
2-({8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(2-methylphenyl)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

C445-0065

Molecular Formula

C21H21N5O3S (C21 H21 N5 O3 S)

Compound Name

2-({8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(2-methylphenyl)acetamide

IUPAC name

2-({89-dimethoxy-2-methyl-[124]triazolo[15-c]quinazolin-5-yl}sulfanyl)-N-(2-methylphenyl)acetamide

SMILES

Cc1nn2c(SCC(Nc3c(C)cccc3)=O)nc(cc(c(OC)c3)OC)c3c2n1

InChI

InChI=1S/C21H21N5O3S/c1-12-7-5-6-8-15(12)23-19(27)11-30-21-24-16-10-18(29-4)17(28-3)9-14(16)20-22-13(2)25-26(20)21/h5-10H,11H2,1-4H3,(H,23,27)

InChI Key

OHXXUXFYWALECR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.696

Distribution Coefficient, logD

2.677

Water Solubility, LogSw

-3.05

Polar Surface Area

67.394

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C445-0065 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 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 C445-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0065?
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What is the minimum amount of C445-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0065
  • 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 C445-0065 available by request