6197-5824 Screening compound: 3-(4-chlorobenzyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one

6197-5824 Screening compound: 3-(4-chlorobenzyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
6197-5824 Screening compound: 3-(4-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 6197-5824
3-(4-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

6197-5824

Molecular Formula

C17H16ClN3OS (C17 H16 ClN3 OS)

Compound Name

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

IUPAC name

4-[(4-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(Cc(cc1)ccc1Cl)N=N1)=O)c1s2

InChI

InChI=1S/C17H16ClN3OS/c1-10-2-7-13-14(8-10)23-16-15(13)17(22)21(20-19-16)9-11-3-5-12(18)6-4-11/h3-6,10H,2,7-9H2,1H3/t10-/m1/s1

InChI Key

BMHMMWVDTIFPIE-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD04064999

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

4.985

Distribution Coefficient, logD

4.985

Water Solubility, LogSw

-5.26

Polar Surface Area

40.756

Acid Dissociation Constant (pKa)

22.99

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

6197-5824 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 6197-5824 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6197-5824?
Check Price and Availability of 6197-5824, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6197-5824 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6197-5824
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6197-5824
  • 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 6197-5824 available by request