M109-0710 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[6-ethyl-3-(4-methylphenyl)-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide

M109-0710 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[6-ethyl-3-(4-methylphenyl)-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
M109-0710 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[6-ethyl-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 M109-0710
N-(2H-1,3-benzodioxol-5-yl)-2-{[6-ethyl-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

M109-0710

Molecular Formula

C23H20N4O4S2 (C23 H20 N4 O4 S2)

Compound Name

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

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-{[6-ethyl-3-(4-methylphenyl)-7-oxo-6H7H-[12]thiazolo[45-d]pyrimidin-5-yl]sulfanyl}acetamide

SMILES

CCN(C1=O)C(SCC(Nc(cc2)cc3c2OCO3)=O)=Nc2c1snc2-c1ccc(C)cc1

InChI

InChI=1S/C23H20N4O4S2/c1-3-27-22(29)21-20(19(26-33-21)14-6-4-13(2)5-7-14)25-23(27)32-11-18(28)24-15-8-9-16-17(10-15)31-12-30-16/h4-10H,3,11-12H2,1-2H3,(H,24,28)

InChI Key

KHNNQNBWQWYGKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.389

Distribution Coefficient, logD

4.389

Water Solubility, LogSw

-4.31

Polar Surface Area

74.770

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

M109-0710 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 M109-0710 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M109-0710?
Check Price and Availability of M109-0710, 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 M109-0710 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M109-0710
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M109-0710
  • 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 M109-0710 available by request