C445-0025 Screening compound: 5-{[(4-chlorophenyl)methyl]sulfanyl}-8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline

C445-0025 Screening compound: 5-{[(4-chlorophenyl)methyl]sulfanyl}-8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
C445-0025 Screening compound: 5-{[(4-chlorophenyl)methyl]sulfanyl}-8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C445-0025
5-{[(4-chlorophenyl)methyl]sulfanyl}-8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline

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

C445-0025

Molecular Formula

C19H17ClN4O2S (C19 H17 ClN4 O2 S)

Compound Name

5-{[(4-chlorophenyl)methyl]sulfanyl}-8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline

IUPAC name

5-{[(4-chlorophenyl)methyl]sulfanyl}-89-dimethoxy-2-methyl-[124]triazolo[15-c]quinazoline

SMILES

Cc1nn2c(SCc(cc3)ccc3Cl)nc(cc(c(OC)c3)OC)c3c2n1

InChI

InChI=1S/C19H17ClN4O2S/c1-11-21-18-14-8-16(25-2)17(26-3)9-15(14)22-19(24(18)23-11)27-10-12-4-6-13(20)7-5-12/h4-9H,10H2,1-3H3

InChI Key

NWVBEIJZRJMXFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.89

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

3.820

Distribution Coefficient, logD

3.777

Water Solubility, LogSw

-4.39

Polar Surface Area

44.942

Acid Dissociation Constant (pKa)

22.86

Base Dissociation Constant (pKb)

6.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

C445-0025 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C445-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0025?
Check Price and Availability of C445-0025, 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 C445-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0025
  • 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 C445-0025 available by request