6197-5820 Screening compound: 7-methyl-3-(4-methylbenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one

6197-5820 Screening compound: 7-methyl-3-(4-methylbenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
6197-5820 Screening compound: 7-methyl-3-(4-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 6197-5820
7-methyl-3-(4-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

6197-5820

Molecular Formula

C18H19N3OS (C18 H19 N3 OS)

Compound Name

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

IUPAC name

11-methyl-4-[(4-methylphenyl)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(Cc1ccc(C)cc1)N=N1)=O)c1s2

InChI

InChI=1S/C18H19N3OS/c1-11-3-6-13(7-4-11)10-21-18(22)16-14-8-5-12(2)9-15(14)23-17(16)19-20-21/h3-4,6-7,12H,5,8-10H2,1-2H3/t12-/m1/s1

InChI Key

CKNZUEGIXWQSRE-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD04064997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.43

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

4.813

Distribution Coefficient, logD

4.813

Water Solubility, LogSw

-4.69

Polar Surface Area

40.756

Acid Dissociation Constant (pKa)

23.46

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.89

References: we are preparing a list of scientific research reports with 6197-5820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6197-5820?
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What is the minimum amount of 6197-5820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6197-5820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6197-5820
  • 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 6197-5820 available by request