8012-9959 Screening compound: 6-(3,4-dichlorophenyl)-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

8012-9959 Screening compound: 6-(3,4-dichlorophenyl)-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
8012-9959 Screening compound: 6-(3,4-dichlorophenyl)-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9959
6-(3,4-dichlorophenyl)-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

8012-9959

Molecular Formula

C11H5Cl2F3N4S (C11 H5 Cl2 F3 N4 S)

Compound Name

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

IUPAC name

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

SMILES

FC(c1nnc2SCC(c(cc3)cc(Cl)c3Cl)=Nn12)(F)F

InChI

InChI=1S/C11H5Cl2F3N4S/c12-6-2-1-5(3-7(6)13)8-4-21-10-18-17-9(11(14,15)16)20(10)19-8/h1-3H,4H2

InChI Key

XXWUYWWZRABVBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.15

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.233

Distribution Coefficient, logD

4.224

Water Solubility, LogSw

-4.49

Polar Surface Area

34.230

Acid Dissociation Constant (pKa)

18.83

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

8012-9959 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8012-9959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9959?
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What is the minimum amount of 8012-9959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9959
  • 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 8012-9959 available by request