C445-0271 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-(3-methylphenyl)acetamide

C445-0271 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-(3-methylphenyl)acetamide
C445-0271 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-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C445-0271
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-(3-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

C445-0271

Molecular Formula

C27H29N7O3S (C27 H29 N7 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-(3-methylphenyl)acetamide

IUPAC name

2-({2-[2-(35-dimethyl-1H-pyrazol-1-yl)ethyl]-89-dimethoxy-[124]triazolo[15-c]quinazolin-5-yl}sulfanyl)-N-(3-methylphenyl)acetamide

SMILES

Cc1cc(C)nn1CCc1nn2c(SCC(Nc3cc(C)ccc3)=O)nc(cc(c(OC)c3)OC)c3c2n1

InChI

InChI=1S/C27H29N7O3S/c1-16-7-6-8-19(11-16)28-25(35)15-38-27-29-21-14-23(37-5)22(36-4)13-20(21)26-30-24(32-34(26)27)9-10-33-18(3)12-17(2)31-33/h6-8,11-14H,9-10,15H2,1-5H3,(H,28,35)

InChI Key

VDGUONGFMBFSSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.64

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

3.425

Distribution Coefficient, logD

3.308

Water Solubility, LogSw

-3.65

Polar Surface Area

83.183

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

6.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

C445-0271 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 C445-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0271?
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What is the minimum amount of C445-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0271
  • 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 C445-0271 available by request