6197-5839 Screening compound: 2-[7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]-N~1~-phenylacetamide

6197-5839 Screening compound: 2-[7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]-N~1~-phenylacetamide
6197-5839 Screening compound: 2-[7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]-N~1~-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6197-5839
2-[7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]-N~1~-phenylacetamide

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

6197-5839

Molecular Formula

C18H18N4O2S (C18 H18 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)Cc2c1c(C(N(CC(Nc1ccccc1)=O)N=N1)=O)c1s2

InChI

InChI=1S/C18H18N4O2S/c1-11-7-8-13-14(9-11)25-17-16(13)18(24)22(21-20-17)10-15(23)19-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,19,23)/t11-/m1/s1

InChI Key

ISPJWZDDYAJDLJ-LLVKDONJSA-N

MDL Number (MFCD)

MFCD03847304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.776

Distribution Coefficient, logD

3.776

Water Solubility, LogSw

-4.22

Polar Surface Area

63.905

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with 6197-5839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6197-5839?
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What is the minimum amount of 6197-5839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6197-5839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6197-5839
  • 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 6197-5839 available by request