8013-6273 Screening compound: 9-(methoxymethyl)-7-methyl-3-[2-(trifluoromethyl)phenyl]pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one

8013-6273 Screening compound: 9-(methoxymethyl)-7-methyl-3-[2-(trifluoromethyl)phenyl]pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
8013-6273 Screening compound: 9-(methoxymethyl)-7-methyl-3-[2-(trifluoromethyl)phenyl]pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6273
9-(methoxymethyl)-7-methyl-3-[2-(trifluoromethyl)phenyl]pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-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

8013-6273

Molecular Formula

C18H13F3N4O2S (C18 H13 F3 N4 O2 S)

Compound Name

9-(methoxymethyl)-7-methyl-3-[2-(trifluoromethyl)phenyl]pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one

IUPAC name

13-(methoxymethyl)-11-methyl-5-[2-(trifluoromethyl)phenyl]-8-thia-34510-tetraazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-6-one

SMILES

Cc1cc(COC)c(c(N=NN(c2c(C(F)(F)F)cccc2)C2=O)c2s2)c2n1

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.227

Distribution Coefficient, logD

4.227

Water Solubility, LogSw

-4.64

Polar Surface Area

54.911

Acid Dissociation Constant (pKa)

28.26

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

8013-6273 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8013-6273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6273?
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What is the minimum amount of 8013-6273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6273
  • 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 8013-6273 available by request