M109-0181 Screening compound: 2-({7-oxo-3-phenyl-6-propyl-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-N-phenylacetamide

M109-0181 Screening compound: 2-({7-oxo-3-phenyl-6-propyl-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-N-phenylacetamide
M109-0181 Screening compound: 2-({7-oxo-3-phenyl-6-propyl-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M109-0181
2-({7-oxo-3-phenyl-6-propyl-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-N-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

M109-0181

Molecular Formula

C22H20N4O2S2 (C22 H20 N4 O2 S2)

Compound Name

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

IUPAC name

2-({7-oxo-3-phenyl-6-propyl-6H7H-[12]thiazolo[45-d]pyrimidin-5-yl}sulfanyl)-N-phenylacetamide

SMILES

CCCN(C1=O)C(SCC(Nc2ccccc2)=O)=Nc2c1snc2-c1ccccc1

InChI

InChI=1S/C22H20N4O2S2/c1-2-13-26-21(28)20-19(18(25-30-20)15-9-5-3-6-10-15)24-22(26)29-14-17(27)23-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,23,27)

InChI Key

HXIZREWUCYHLPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.325

Distribution Coefficient, logD

4.325

Water Solubility, LogSw

-4.10

Polar Surface Area

57.909

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

M109-0181 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 M109-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M109-0181?
Check Price and Availability of M109-0181, 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 M109-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M109-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M109-0181
  • 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 M109-0181 available by request