6197-5884 Screening compound: 2-methoxyethyl 2-[7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetate

6197-5884 Screening compound: 2-methoxyethyl 2-[7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetate
6197-5884 Screening compound: 2-methoxyethyl 2-[7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6197-5884
2-methoxyethyl 2-[7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetate

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

6197-5884

Molecular Formula

C15H19N3O4S (C15 H19 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C15H19N3O4S/c1-9-3-4-10-11(7-9)23-14-13(10)15(20)18(17-16-14)8-12(19)22-6-5-21-2/h9H,3-8H2,1-2H3/t9-/m1/s1

InChI Key

NFUFEBJJLCGRAX-SECBINFHSA-N

MDL Number (MFCD)

MFCD04066138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.934

Distribution Coefficient, logD

1.934

Water Solubility, LogSw

-2.10

Polar Surface Area

69.822

Acid Dissociation Constant (pKa)

18.53

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

References: we are preparing a list of scientific research reports with 6197-5884 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6197-5884?
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What is the minimum amount of 6197-5884 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6197-5884
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6197-5884
  • 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 6197-5884 available by request