C445-0245 Screening compound: ethyl 2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetate

C445-0245 Screening compound: ethyl 2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetate
C445-0245 Screening compound: ethyl 2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C445-0245
ethyl 2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetate

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

C445-0245

Molecular Formula

C22H26N6O4S (C22 H26 N6 O4 S)

Compound Name

ethyl 2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetate

IUPAC name

ethyl 2-({2-[2-(35-dimethyl-1H-pyrazol-1-yl)ethyl]-89-dimethoxy-[124]triazolo[15-c]quinazolin-5-yl}sulfanyl)acetate

SMILES

CCOC(CSc1nc(cc(c(OC)c2)OC)c2c2nc(CCn3nc(C)cc3C)nn12)=O

InChI

InChI=1S/C22H26N6O4S/c1-6-32-20(29)12-33-22-23-16-11-18(31-5)17(30-4)10-15(16)21-24-19(26-28(21)22)7-8-27-14(3)9-13(2)25-27/h9-11H,6-8,12H2,1-5H3

InChI Key

IJNOBIBKRMHDFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.276

Distribution Coefficient, logD

2.159

Water Solubility, LogSw

-2.25

Polar Surface Area

80.464

Acid Dissociation Constant (pKa)

18.77

Base Dissociation Constant (pKb)

6.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

C445-0245 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • 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 C445-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0245?
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What is the minimum amount of C445-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0245
  • 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 C445-0245 available by request