M109-0617 Screening compound: 2-{[6-methyl-3-(4-methylphenyl)-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide

M109-0617 Screening compound: 2-{[6-methyl-3-(4-methylphenyl)-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
M109-0617 Screening compound: 2-{[6-methyl-3-(4-methylphenyl)-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M109-0617
2-{[6-methyl-3-(4-methylphenyl)-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]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

M109-0617

Molecular Formula

C22H20N4O2S3 (C22 H20 N4 O2 S3)

Compound Name

2-{[6-methyl-3-(4-methylphenyl)-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide

IUPAC name

2-{[6-methyl-3-(4-methylphenyl)-7-oxo-6H7H-[12]thiazolo[45-d]pyrimidin-5-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide

SMILES

Cc(cc1)ccc1-c1nsc(C(N2C)=O)c1N=C2SCC(Nc1cc(SC)ccc1)=O

InChI

InChI=1S/C22H20N4O2S3/c1-13-7-9-14(10-8-13)18-19-20(31-25-18)21(28)26(2)22(24-19)30-12-17(27)23-15-5-4-6-16(11-15)29-3/h4-11H,12H2,1-3H3,(H,23,27)

InChI Key

RVHYQYVUVZCNKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15140965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.466

Distribution Coefficient, logD

4.466

Water Solubility, LogSw

-4.28

Polar Surface Area

57.696

Acid Dissociation Constant (pKa)

12.84

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

M109-0617 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with M109-0617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M109-0617?
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What is the minimum amount of M109-0617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M109-0617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M109-0617
  • 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 M109-0617 available by request