M586-1576 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[5-ethyl-7-oxo-3-(pyridin-4-yl)-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide

M586-1576 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[5-ethyl-7-oxo-3-(pyridin-4-yl)-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
M586-1576 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-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 M586-1576
N-(2H-1,3-benzodioxol-5-yl)-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

M586-1576

Molecular Formula

C21H17N5O4S (C21 H17 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(N(CC(Nc(cc1)cc2c1OCO2)=O)C1=O)=Nc2c1snc2-c1ccncc1

InChI

InChI=1S/C21H17N5O4S/c1-2-16-24-19-18(12-5-7-22-8-6-12)25-31-20(19)21(28)26(16)10-17(27)23-13-3-4-14-15(9-13)30-11-29-14/h3-9H,2,10-11H2,1H3,(H,23,27)

InChI Key

BCFVHILVXWORMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27548343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.349

Distribution Coefficient, logD

2.348

Water Solubility, LogSw

-2.80

Polar Surface Area

83.909

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

M586-1576 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with M586-1576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M586-1576?
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What is the minimum amount of M586-1576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M586-1576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M586-1576
  • 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 M586-1576 available by request