C445-0093 Screening compound: 8,9-dimethoxy-5-{[(4-methylphenyl)methyl]sulfanyl}-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline

C445-0093 Screening compound: 8,9-dimethoxy-5-{[(4-methylphenyl)methyl]sulfanyl}-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline
C445-0093 Screening compound: 8,9-dimethoxy-5-{[(4-methylphenyl)methyl]sulfanyl}-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C445-0093
8,9-dimethoxy-5-{[(4-methylphenyl)methyl]sulfanyl}-2-phenyl-[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

C445-0093

Molecular Formula

C25H22N4O2S (C25 H22 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CSc2nc(cc(c(OC)c3)OC)c3c3nc(-c4ccccc4)nn23)cc1

InChI

InChI=1S/C25H22N4O2S/c1-16-9-11-17(12-10-16)15-32-25-26-20-14-22(31-3)21(30-2)13-19(20)24-27-23(28-29(24)25)18-7-5-4-6-8-18/h4-14H,15H2,1-3H3

InChI Key

DHPIABYPVUYAAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.467

Distribution Coefficient, logD

5.450

Water Solubility, LogSw

-5.65

Polar Surface Area

45.058

Acid Dissociation Constant (pKa)

23.33

Base Dissociation Constant (pKb)

6.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

C445-0093 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C445-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0093?
Check Price and Availability of C445-0093, 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 C445-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0093
  • 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 C445-0093 available by request