C200-7225 Screening compound: 4-(4-ethylbenzyl)-1-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

C200-7225 Screening compound: 4-(4-ethylbenzyl)-1-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
C200-7225 Screening compound: 4-(4-ethylbenzyl)-1-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-7225
4-(4-ethylbenzyl)-1-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

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

C200-7225

Molecular Formula

C24H19F3N4OS2 (C24 H19 F3 N4 OS2)

Compound Name

4-(4-ethylbenzyl)-1-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

IUPAC name

8-[(4-ethylphenyl)methyl]-12-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-7-one

SMILES

CCc1ccc(CN(c(n2-c3c4scc3)nnc2SCc2cc(C(F)(F)F)ccc2)C4=O)cc1

InChI

InChI=1S/C24H19F3N4OS2/c1-2-15-6-8-16(9-7-15)13-30-21(32)20-19(10-11-33-20)31-22(30)28-29-23(31)34-14-17-4-3-5-18(12-17)24(25,26)27/h3-12H,2,13-14H2,1H3

InChI Key

JUGXPRKBUUFSPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.397

Distribution Coefficient, logD

6.397

Water Solubility, LogSw

-5.75

Polar Surface Area

40.330

Acid Dissociation Constant (pKa)

22.24

Base Dissociation Constant (pKb)

-3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

C200-7225 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C200-7225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-7225?
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What is the minimum amount of C200-7225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-7225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-7225
  • 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 C200-7225 available by request