M586-1445 Screening compound: 2-[5-methyl-7-oxo-3-(pyridin-4-yl)-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]-N-[3-(methylsulfanyl)phenyl]acetamide

M586-1445 Screening compound: 2-[5-methyl-7-oxo-3-(pyridin-4-yl)-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
M586-1445 Screening compound: 2-[5-methyl-7-oxo-3-(pyridin-4-yl)-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]-N-[3-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M586-1445
2-[5-methyl-7-oxo-3-(pyridin-4-yl)-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]-N-[3-(methylsulfanyl)phenyl]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

M586-1445

Molecular Formula

C20H17N5O2S2 (C20 H17 N5 O2 S2)

Compound Name

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

IUPAC name

2-[5-methyl-7-oxo-3-(pyridin-4-yl)-6H7H-[12]thiazolo[45-d]pyrimidin-6-yl]-N-[3-(methylsulfanyl)phenyl]acetamide

SMILES

CC(N(CC(Nc1cc(SC)ccc1)=O)C1=O)=Nc2c1snc2-c1ccncc1

InChI

InChI=1S/C20H17N5O2S2/c1-12-22-18-17(13-6-8-21-9-7-13)24-29-19(18)20(27)25(12)11-16(26)23-14-4-3-5-15(10-14)28-2/h3-10H,11H2,1-2H3,(H,23,26)

InChI Key

OEGWOSDBQGXZDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27548309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.640

Distribution Coefficient, logD

2.640

Water Solubility, LogSw

-2.81

Polar Surface Area

65.701

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

M586-1445 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 M586-1445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M586-1445?
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What is the minimum amount of M586-1445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M586-1445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M586-1445
  • 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 M586-1445 available by request