8017-1029 Screening compound: 6-(3-methoxyphenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

8017-1029 Screening compound: 6-(3-methoxyphenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
8017-1029 Screening compound: 6-(3-methoxyphenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1029
6-(3-methoxyphenyl)-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

8017-1029

Molecular Formula

C12H12N4OS (C12 H12 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1nnc2SCC(c3cc(OC)ccc3)=Nn12

InChI

InChI=1S/C12H12N4OS/c1-8-13-14-12-16(8)15-11(7-18-12)9-4-3-5-10(6-9)17-2/h3-6H,7H2,1-2H3

InChI Key

FDUAZVVQZGXCAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.995

Distribution Coefficient, logD

1.879

Water Solubility, LogSw

-2.18

Polar Surface Area

42.551

Acid Dissociation Constant (pKa)

19.46

Base Dissociation Constant (pKb)

6.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8017-1029 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8017-1029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1029?
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What is the minimum amount of 8017-1029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1029
  • 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 8017-1029 available by request