M108-0226 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-(4-fluorophenyl)-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide

M108-0226 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-(4-fluorophenyl)-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
M108-0226 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-(4-fluorophenyl)-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M108-0226
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-(4-fluorophenyl)-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]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

M108-0226

Molecular Formula

C21H15FN4O4S (C21 H15 FN4 O4 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-(4-fluorophenyl)-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[3-(4-fluorophenyl)-7-oxo-6H7H-[12]thiazolo[45-d]pyrimidin-6-yl]acetamide

SMILES

O=C(CN(C=Nc1c2snc1-c(cc1)ccc1F)C2=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C21H15FN4O4S/c22-14-4-2-13(3-5-14)18-19-20(31-25-18)21(28)26(10-24-19)9-17(27)23-8-12-1-6-15-16(7-12)30-11-29-15/h1-7,10H,8-9,11H2,(H,23,27)

InChI Key

BLBKWLLGBHORSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.549

Distribution Coefficient, logD

2.549

Water Solubility, LogSw

-2.99

Polar Surface Area

76.664

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

M108-0226 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with M108-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M108-0226?
Check Price and Availability of M108-0226, 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 M108-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M108-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M108-0226
  • 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 M108-0226 available by request