C445-0326 Screening compound: 1-{2-[8,9-dimethoxy-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]ethyl}-3,5-dimethyl-1H-pyrazole

C445-0326 Screening compound: 1-{2-[8,9-dimethoxy-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]ethyl}-3,5-dimethyl-1H-pyrazole
C445-0326 Screening compound: 1-{2-[8,9-dimethoxy-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]ethyl}-3,5-dimethyl-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C445-0326
1-{2-[8,9-dimethoxy-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]ethyl}-3,5-dimethyl-1H-pyrazole

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

C445-0326

Molecular Formula

C26H25F3N6O2S (C26 H25 F3 N6 O2 S)

Compound Name

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

IUPAC name

1-{2-[89-dimethoxy-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-[124]triazolo[15-c]quinazolin-2-yl]ethyl}-35-dimethyl-1H-pyrazole

SMILES

Cc1cc(C)nn1CCc1nn2c(SCc3cc(C(F)(F)F)ccc3)nc(cc(c(OC)c3)OC)c3c2n1

InChI

InChI=1S/C26H25F3N6O2S/c1-15-10-16(2)34(32-15)9-8-23-31-24-19-12-21(36-3)22(37-4)13-20(19)30-25(35(24)33-23)38-14-17-6-5-7-18(11-17)26(27,28)29/h5-7,10-13H,8-9,14H2,1-4H3

InChI Key

FZTDVSLQSWVMCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.423

Distribution Coefficient, logD

4.181

Water Solubility, LogSw

-4.41

Polar Surface Area

60.034

Acid Dissociation Constant (pKa)

23.33

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C445-0326 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)

CNS Targets (44014 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C445-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0326?
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What is the minimum amount of C445-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0326
  • 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 C445-0326 available by request