M108-0237 Screening compound: 2-[3-(4-fluorophenyl)-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,4,6-trimethylphenyl)acetamide

M108-0237 Screening compound: 2-[3-(4-fluorophenyl)-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,4,6-trimethylphenyl)acetamide
M108-0237 Screening compound: 2-[3-(4-fluorophenyl)-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,4,6-trimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M108-0237
2-[3-(4-fluorophenyl)-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,4,6-trimethylphenyl)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

M108-0237

Molecular Formula

C22H19FN4O2S (C22 H19 FN4 O2 S)

Compound Name

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

IUPAC name

2-[3-(4-fluorophenyl)-7-oxo-6H7H-[12]thiazolo[45-d]pyrimidin-6-yl]-N-(246-trimethylphenyl)acetamide

SMILES

Cc(cc1C)cc(C)c1NC(CN(C=Nc1c2snc1-c(cc1)ccc1F)C2=O)=O

InChI

InChI=1S/C22H19FN4O2S/c1-12-8-13(2)18(14(3)9-12)25-17(28)10-27-11-24-20-19(26-30-21(20)22(27)29)15-4-6-16(23)7-5-15/h4-9,11H,10H2,1-3H3,(H,25,28)

InChI Key

PCVJLEQWQLNKNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.571

Distribution Coefficient, logD

3.571

Water Solubility, LogSw

-3.85

Polar Surface Area

56.831

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

M108-0237 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M108-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M108-0237?
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What is the minimum amount of M108-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M108-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M108-0237
  • 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 M108-0237 available by request