8017-1300 Screening compound: 6-(3-methoxyphenyl)-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

8017-1300 Screening compound: 6-(3-methoxyphenyl)-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
8017-1300 Screening compound: 6-(3-methoxyphenyl)-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1300
6-(3-methoxyphenyl)-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

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

8017-1300

Molecular Formula

C12H9F3N4OS (C12 H9 F3 N4 OS)

Compound Name

6-(3-methoxyphenyl)-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

IUPAC name

6-(3-methoxyphenyl)-3-(trifluoromethyl)-7H-[124]triazolo[34-b][134]thiadiazine

SMILES

COc1cccc(C(CS2)=Nn3c2nnc3C(F)(F)F)c1

InChI

InChI=1S/C12H9F3N4OS/c1-20-8-4-2-3-7(5-8)9-6-21-11-17-16-10(12(13,14)15)19(11)18-9/h2-5H,6H2,1H3

InChI Key

DHRBWWPHWWNMFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.011

Distribution Coefficient, logD

2.895

Water Solubility, LogSw

-3.25

Polar Surface Area

41.773

Acid Dissociation Constant (pKa)

19.46

Base Dissociation Constant (pKb)

6.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8017-1300 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Akt-Targeted Library (14764 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8017-1300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1300?
Check Price and Availability of 8017-1300, 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 8017-1300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1300
  • 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 8017-1300 available by request