C445-0328 Screening compound: 4-[({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]benzonitrile

C445-0328 Screening compound: 4-[({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]benzonitrile
C445-0328 Screening compound: 4-[({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound C445-0328
4-[({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]benzonitrile

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

C445-0328

Molecular Formula

C26H25N7O2S (C26 H25 N7 O2 S)

Compound Name

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

IUPAC name

4-[({2-[2-(35-dimethyl-1H-pyrazol-1-yl)ethyl]-89-dimethoxy-[124]triazolo[15-c]quinazolin-5-yl}sulfanyl)methyl]benzonitrile

SMILES

Cc1cc(C)nn1CCc1nn2c(SCc(cc3)ccc3C#N)nc(cc(c(OC)c3)OC)c3c2n1

InChI

InChI=1S/C26H25N7O2S/c1-16-11-17(2)32(30-16)10-9-24-29-25-20-12-22(34-3)23(35-4)13-21(20)28-26(33(25)31-24)36-15-19-7-5-18(14-27)6-8-19/h5-8,11-13H,9-10,15H2,1-4H3

InChI Key

ZJAWHBGYPUJQKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.044

Distribution Coefficient, logD

2.801

Water Solubility, LogSw

-2.99

Polar Surface Area

77.090

Acid Dissociation Constant (pKa)

23.33

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

C445-0328 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C445-0328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0328?
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What is the minimum amount of C445-0328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0328
  • 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 C445-0328 available by request