6197-5840 Screening compound: N~1~-benzyl-2-[7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetamide

6197-5840 Screening compound: N~1~-benzyl-2-[7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetamide
6197-5840 Screening compound: N~1~-benzyl-2-[7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6197-5840
N~1~-benzyl-2-[7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetamide

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

6197-5840

Molecular Formula

C19H20N4O2S (C19 H20 N4 O2 S)

Compound Name

N~1~-benzyl-2-[7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetamide

IUPAC name

N-benzyl-2-{11-methyl-3-oxo-8-thia-456-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-4-yl}acetamide

SMILES

CC(CC1)Cc2c1c(C(N(CC(NCc1ccccc1)=O)N=N1)=O)c1s2

InChI

InChI=1S/C19H20N4O2S/c1-12-7-8-14-15(9-12)26-18-17(14)19(25)23(22-21-18)11-16(24)20-10-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,20,24)/t12-/m1/s1

InChI Key

HWXKMLJEYVPKTI-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD04065006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.546

Distribution Coefficient, logD

3.546

Water Solubility, LogSw

-3.97

Polar Surface Area

65.227

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with 6197-5840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6197-5840?
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What is the minimum amount of 6197-5840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6197-5840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6197-5840
  • 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 6197-5840 available by request