C200-7222 Screening compound: 4-(2-ethoxybenzyl)-1-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

C200-7222 Screening compound: 4-(2-ethoxybenzyl)-1-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
C200-7222 Screening compound: 4-(2-ethoxybenzyl)-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 C200-7222
4-(2-ethoxybenzyl)-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

C200-7222

Molecular Formula

C24H19F3N4O2S2 (C24 H19 F3 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc1c(CN(c(n2-c3c4scc3)nnc2SCc2cc(C(F)(F)F)ccc2)C4=O)cccc1

InChI

InChI=1S/C24H19F3N4O2S2/c1-2-33-19-9-4-3-7-16(19)13-30-21(32)20-18(10-11-34-20)31-22(30)28-29-23(31)35-14-15-6-5-8-17(12-15)24(25,26)27/h3-12H,2,13-14H2,1H3

InChI Key

SJSBNOBTVDUVNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.806

Distribution Coefficient, logD

5.806

Water Solubility, LogSw

-5.56

Polar Surface Area

47.541

Acid Dissociation Constant (pKa)

22.24

Base Dissociation Constant (pKb)

-3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

C200-7222 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C200-7222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-7222?
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What is the minimum amount of C200-7222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-7222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-7222
  • 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 C200-7222 available by request