M109-0696 Screening compound: 2-{[6-ethyl-3-(4-methylphenyl)-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide

M109-0696 Screening compound: 2-{[6-ethyl-3-(4-methylphenyl)-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
M109-0696 Screening compound: 2-{[6-ethyl-3-(4-methylphenyl)-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M109-0696
2-{[6-ethyl-3-(4-methylphenyl)-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)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

M109-0696

Molecular Formula

C23H21FN4O2S2 (C23 H21 FN4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCN(C1=O)C(SCC(Nc2cc(F)c(C)cc2)=O)=Nc2c1snc2-c1ccc(C)cc1

InChI

InChI=1S/C23H21FN4O2S2/c1-4-28-22(30)21-20(19(27-32-21)15-8-5-13(2)6-9-15)26-23(28)31-12-18(29)25-16-10-7-14(3)17(24)11-16/h5-11H,4,12H2,1-3H3,(H,25,29)

InChI Key

PRORJQWQHAGINM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15140983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.205

Distribution Coefficient, logD

5.205

Water Solubility, LogSw

-4.91

Polar Surface Area

57.655

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

M109-0696 in Drug Discovery

Included in Screening Libraries

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 M109-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M109-0696?
Check Price and Availability of M109-0696, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M109-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M109-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M109-0696
  • 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 M109-0696 available by request