8013-2985 Screening compound: 9-(methoxymethyl)-7-methyl-3-[3-(trifluoromethyl)phenyl]pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one

8013-2985 Screening compound: 9-(methoxymethyl)-7-methyl-3-[3-(trifluoromethyl)phenyl]pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
8013-2985 Screening compound: 9-(methoxymethyl)-7-methyl-3-[3-(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 8013-2985
9-(methoxymethyl)-7-methyl-3-[3-(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

8013-2985

Molecular Formula

C18H13F3N4O2S (C18 H13 F3 N4 O2 S)

Compound Name

9-(methoxymethyl)-7-methyl-3-[3-(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-[3-(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(c2cc(C(F)(F)F)ccc2)C2=O)c2s2)c2n1

InChI

InChI=1S/C18H13F3N4O2S/c1-9-6-10(8-27-2)13-14-15(28-16(13)22-9)17(26)25(24-23-14)12-5-3-4-11(7-12)18(19,20)21/h3-7H,8H2,1-2H3

InChI Key

BSOGTINCBMZBEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03764300

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

4.341

Distribution Coefficient, logD

4.341

Water Solubility, LogSw

-4.71

Polar Surface Area

55.212

Acid Dissociation Constant (pKa)

28.26

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

8013-2985 in Drug Discovery

Included in Screening Libraries

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 8013-2985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2985?
Check Price and Availability of 8013-2985, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8013-2985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2985
  • 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 8013-2985 available by request