C445-0277 Screening compound: 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)-N-(2-fluorophenyl)acetamide

C445-0277 Screening compound: 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)-N-(2-fluorophenyl)acetamide
C445-0277 Screening compound: 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)-N-(2-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C445-0277
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)-N-(2-fluorophenyl)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

C445-0277

Molecular Formula

C26H26FN7O3S (C26 H26 FN7 O3 S)

Compound Name

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)-N-(2-fluorophenyl)acetamide

IUPAC name

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

SMILES

Cc1cc(C)nn1CCc1nn2c(SCC(Nc(cccc3)c3F)=O)nc(cc(c(OC)c3)OC)c3c2n1

InChI

InChI=1S/C26H26FN7O3S/c1-15-11-16(2)33(31-15)10-9-23-30-25-17-12-21(36-3)22(37-4)13-20(17)29-26(34(25)32-23)38-14-24(35)28-19-8-6-5-7-18(19)27/h5-8,11-13H,9-10,14H2,1-4H3,(H,28,35)

InChI Key

FHNMPUMCNPSALW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.845

Distribution Coefficient, logD

2.728

Water Solubility, LogSw

-3.28

Polar Surface Area

82.485

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

6.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

C445-0277 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 C445-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0277?
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What is the minimum amount of C445-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0277
  • 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 C445-0277 available by request