6197-5872 Screening compound: 7-methyl-3-(2-oxo-2-piperidinoethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one

6197-5872 Screening compound: 7-methyl-3-(2-oxo-2-piperidinoethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
6197-5872 Screening compound: 7-methyl-3-(2-oxo-2-piperidinoethyl)-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 6197-5872
7-methyl-3-(2-oxo-2-piperidinoethyl)-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

6197-5872

Molecular Formula

C17H22N4O2S (C17 H22 N4 O2 S)

Compound Name

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

IUPAC name

11-methyl-4-[2-oxo-2-(piperidin-1-yl)ethyl]-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(N1CCCCC1)=O)N=N1)=O)c1s2

InChI

InChI=1S/C17H22N4O2S/c1-11-5-6-12-13(9-11)24-16-15(12)17(23)21(19-18-16)10-14(22)20-7-3-2-4-8-20/h11H,2-10H2,1H3/t11-/m1/s1

InChI Key

HKKBFJGBRTWOPG-LLVKDONJSA-N

MDL Number (MFCD)

MFCD04065014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.918

Distribution Coefficient, logD

2.918

Water Solubility, LogSw

-3.21

Polar Surface Area

57.148

Acid Dissociation Constant (pKa)

18.92

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.70

References: we are preparing a list of scientific research reports with 6197-5872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6197-5872?
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What is the minimum amount of 6197-5872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6197-5872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6197-5872
  • 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 6197-5872 available by request