C445-0115 Screening compound: 2-[({8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

C445-0115 Screening compound: 2-[({8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
C445-0115 Screening compound: 2-[({8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C445-0115
2-[({8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

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

C445-0115

Molecular Formula

C27H22N6O3S (C27 H22 N6 O3 S)

Compound Name

2-[({8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

IUPAC name

2-[({89-dimethoxy-2-phenyl-[124]triazolo[15-c]quinazolin-5-yl}sulfanyl)methyl]-6-methyl-4H-pyrido[12-a]pyrimidin-4-one

SMILES

CC(N12)=CC=CC2=NC(CSc2nc(cc(c(OC)c3)OC)c3c3nc(-c4ccccc4)nn23)=CC1=O

InChI

InChI=1S/C27H22N6O3S/c1-16-8-7-11-23-28-18(12-24(34)32(16)23)15-37-27-29-20-14-22(36-3)21(35-2)13-19(20)26-30-25(31-33(26)27)17-9-5-4-6-10-17/h4-14H,15H2,1-3H3

InChI Key

KGSMKHKICGITBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.123

Distribution Coefficient, logD

4.116

Water Solubility, LogSw

-4.39

Polar Surface Area

70.709

Acid Dissociation Constant (pKa)

22.63

Base Dissociation Constant (pKb)

5.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

C445-0115 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Nervous system
  • 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 C445-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0115?
Check Price and Availability of C445-0115, 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 C445-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0115
  • 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 C445-0115 available by request