8008-2912 Screening compound: 6-(4-chlorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

8008-2912 Screening compound: 6-(4-chlorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
8008-2912 Screening compound: 6-(4-chlorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-2912
6-(4-chlorophenyl)-3-methyl-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

8008-2912

Molecular Formula

C11H9ClN4S (C11 H9 ClN4 S)

Compound Name

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

IUPAC name

6-(4-chlorophenyl)-3-methyl-7H-[124]triazolo[34-b][134]thiadiazine

SMILES

Cc1nnc2SCC(c(cc3)ccc3Cl)=Nn12

InChI

InChI=1S/C11H9ClN4S/c1-7-13-14-11-16(7)15-10(6-17-11)8-2-4-9(12)5-3-8/h2-5H,6H2,1H3

InChI Key

ZYILFWKURBQMAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01209241

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

264.74

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.553

Distribution Coefficient, logD

2.537

Water Solubility, LogSw

-3.13

Polar Surface Area

35.007

Acid Dissociation Constant (pKa)

19.07

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

8008-2912 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

CNS BBB Library (22607 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8008-2912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-2912?
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What is the minimum amount of 8008-2912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-2912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-2912
  • 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 8008-2912 available by request