C445-0117 Screening compound: 2-({8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(2-methylphenyl)acetamide

C445-0117 Screening compound: 2-({8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(2-methylphenyl)acetamide
C445-0117 Screening compound: 2-({8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C445-0117
2-({8,9-dimethoxy-2-phenyl-[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

C445-0117

Molecular Formula

C26H23N5O3S (C26 H23 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1NC(CSc1nc(cc(c(OC)c2)OC)c2c2nc(-c3ccccc3)nn12)=O

InChI

InChI=1S/C26H23N5O3S/c1-16-9-7-8-12-19(16)27-23(32)15-35-26-28-20-14-22(34-3)21(33-2)13-18(20)25-29-24(30-31(25)26)17-10-5-4-6-11-17/h4-14H,15H2,1-3H3,(H,27,32)

InChI Key

NQXITCYCFMOZCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.57

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

4.514

Distribution Coefficient, logD

4.508

Water Solubility, LogSw

-4.33

Polar Surface Area

67.509

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

5.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C445-0117 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 C445-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0117?
Check Price and Availability of C445-0117, 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 C445-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0117
  • 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 C445-0117 available by request