M586-1596 Screening compound: N-(2-chloro-4-methylphenyl)-2-[5-ethyl-7-oxo-3-(pyridin-4-yl)-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide

M586-1596 Screening compound: N-(2-chloro-4-methylphenyl)-2-[5-ethyl-7-oxo-3-(pyridin-4-yl)-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
M586-1596 Screening compound: N-(2-chloro-4-methylphenyl)-2-[5-ethyl-7-oxo-3-(pyridin-4-yl)-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M586-1596
N-(2-chloro-4-methylphenyl)-2-[5-ethyl-7-oxo-3-(pyridin-4-yl)-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

M586-1596

Molecular Formula

C21H18ClN5O2S (C21 H18 ClN5 O2 S)

Compound Name

N-(2-chloro-4-methylphenyl)-2-[5-ethyl-7-oxo-3-(pyridin-4-yl)-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide

IUPAC name

N-(2-chloro-4-methylphenyl)-2-[5-ethyl-7-oxo-3-(pyridin-4-yl)-6H7H-[12]thiazolo[45-d]pyrimidin-6-yl]acetamide

SMILES

CCC(N(CC(Nc(ccc(C)c1)c1Cl)=O)C1=O)=Nc2c1snc2-c1ccncc1

InChI

InChI=1S/C21H18ClN5O2S/c1-3-16-25-19-18(13-6-8-23-9-7-13)26-30-20(19)21(29)27(16)11-17(28)24-15-5-4-12(2)10-14(15)22/h4-10H,3,11H2,1-2H3,(H,24,28)

InChI Key

HAVYJOHHNOSLLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27548351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.240

Distribution Coefficient, logD

3.239

Water Solubility, LogSw

-3.50

Polar Surface Area

66.095

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

M586-1596 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M586-1596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M586-1596?
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What is the minimum amount of M586-1596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M586-1596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M586-1596
  • 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 M586-1596 available by request