6197-5843 Screening compound: 3-(3-chlorobenzyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one

6197-5843 Screening compound: 3-(3-chlorobenzyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
6197-5843 Screening compound: 3-(3-chlorobenzyl)-7-methyl-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 6197-5843
3-(3-chlorobenzyl)-7-methyl-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

6197-5843

Molecular Formula

C17H16ClN3OS (C17 H16 ClN3 OS)

Compound Name

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

IUPAC name

4-[(3-chlorophenyl)methyl]-11-methyl-8-thia-456-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

CC(CC1)Cc2c1c(C(N(Cc1cccc(Cl)c1)N=N1)=O)c1s2

InChI

InChI=1S/C17H16ClN3OS/c1-10-5-6-13-14(7-10)23-16-15(13)17(22)21(20-19-16)9-11-3-2-4-12(18)8-11/h2-4,8,10H,5-7,9H2,1H3/t10-/m1/s1

InChI Key

RFYFGKVZIXIDPP-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD04065009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.85

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

5.045

Distribution Coefficient, logD

5.045

Water Solubility, LogSw

-5.31

Polar Surface Area

40.756

Acid Dissociation Constant (pKa)

23.07

Base Dissociation Constant (pKb)

0.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

6197-5843 in Drug Discovery

Included in Screening Libraries

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 6197-5843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6197-5843?
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What is the minimum amount of 6197-5843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6197-5843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6197-5843
  • 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 6197-5843 available by request