6197-5962 Screening compound: 3-(2-methylbenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one

6197-5962 Screening compound: 3-(2-methylbenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
6197-5962 Screening compound: 3-(2-methylbenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6197-5962
3-(2-methylbenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-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

6197-5962

Molecular Formula

C17H17N3OS (C17 H17 N3 OS)

Compound Name

3-(2-methylbenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one

IUPAC name

4-[(2-methylphenyl)methyl]-8-thia-456-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

Cc1c(CN2N=Nc(sc3c4CCCC3)c4C2=O)cccc1

InChI

InChI=1S/C17H17N3OS/c1-11-6-2-3-7-12(11)10-20-17(21)15-13-8-4-5-9-14(13)22-16(15)18-19-20/h2-3,6-7H,4-5,8-10H2,1H3

InChI Key

POGXLXKQHNRPLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04065038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.41

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

4.703

Distribution Coefficient, logD

4.703

Water Solubility, LogSw

-4.57

Polar Surface Area

40.756

Acid Dissociation Constant (pKa)

23.09

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

6197-5962 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 6197-5962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6197-5962?
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What is the minimum amount of 6197-5962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6197-5962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6197-5962
  • 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 6197-5962 available by request