M109-0621 Screening compound: N-(3-chloro-4-methylphenyl)-2-{[6-methyl-3-(4-methylphenyl)-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide

M109-0621 Screening compound: N-(3-chloro-4-methylphenyl)-2-{[6-methyl-3-(4-methylphenyl)-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
M109-0621 Screening compound: N-(3-chloro-4-methylphenyl)-2-{[6-methyl-3-(4-methylphenyl)-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M109-0621
N-(3-chloro-4-methylphenyl)-2-{[6-methyl-3-(4-methylphenyl)-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}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

M109-0621

Molecular Formula

C22H19ClN4O2S2 (C22 H19 ClN4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H19ClN4O2S2/c1-12-4-7-14(8-5-12)18-19-20(31-26-18)21(29)27(3)22(25-19)30-11-17(28)24-15-9-6-13(2)16(23)10-15/h4-10H,11H2,1-3H3,(H,24,28)

InChI Key

VHFBKQQAKINQQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15140967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.395

Distribution Coefficient, logD

5.395

Water Solubility, LogSw

-5.98

Polar Surface Area

57.696

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

M109-0621 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M109-0621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M109-0621?
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What is the minimum amount of M109-0621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M109-0621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M109-0621
  • 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 M109-0621 available by request