M109-0538 Screening compound: 6-ethyl-5-{[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-phenyl-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-7-one

M109-0538 Screening compound: 6-ethyl-5-{[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-phenyl-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-7-one
M109-0538 Screening compound: 6-ethyl-5-{[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-phenyl-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M109-0538
6-ethyl-5-{[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-phenyl-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-7-one

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

M109-0538

Molecular Formula

C24H22N4O3S2 (C24 H22 N4 O3 S2)

Compound Name

6-ethyl-5-{[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-phenyl-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-7-one

IUPAC name

6-ethyl-5-{[2-(6-methyl-34-dihydro-2H-14-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-phenyl-6H7H-[12]thiazolo[45-d]pyrimidin-7-one

SMILES

CCN(C1=O)C(SCC(N2c(cc(C)cc3)c3OCC2)=O)=Nc2c1snc2-c1ccccc1

InChI

InChI=1S/C24H22N4O3S2/c1-3-27-23(30)22-21(20(26-33-22)16-7-5-4-6-8-16)25-24(27)32-14-19(29)28-11-12-31-18-10-9-15(2)13-17(18)28/h4-10,13H,3,11-12,14H2,1-2H3

InChI Key

WJOJEHRWZWBXMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.275

Distribution Coefficient, logD

4.275

Water Solubility, LogSw

-4.27

Polar Surface Area

57.514

Acid Dissociation Constant (pKa)

27.60

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

M109-0538 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with M109-0538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M109-0538?
Check Price and Availability of M109-0538, 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 M109-0538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M109-0538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M109-0538
  • 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 M109-0538 available by request