M586-1472 Screening compound: methyl 2-{2-[5-methyl-7-oxo-3-(pyridin-4-yl)-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamido}benzoate

M586-1472 Screening compound: methyl 2-{2-[5-methyl-7-oxo-3-(pyridin-4-yl)-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamido}benzoate
M586-1472 Screening compound: methyl 2-{2-[5-methyl-7-oxo-3-(pyridin-4-yl)-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M586-1472
methyl 2-{2-[5-methyl-7-oxo-3-(pyridin-4-yl)-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamido}benzoate

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

M586-1472

Molecular Formula

C21H17N5O4S (C21 H17 N5 O4 S)

Compound Name

methyl 2-{2-[5-methyl-7-oxo-3-(pyridin-4-yl)-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamido}benzoate

IUPAC name

methyl 2-{2-[5-methyl-7-oxo-3-(pyridin-4-yl)-6H7H-[12]thiazolo[45-d]pyrimidin-6-yl]acetamido}benzoate

SMILES

CC(N(CC(Nc(cccc1)c1C(OC)=O)=O)C1=O)=Nc2c1snc2-c1ccncc1

InChI

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

InChI Key

YCSLSCJWNXEBKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27548322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.904

Distribution Coefficient, logD

1.887

Water Solubility, LogSw

-2.67

Polar Surface Area

86.177

Acid Dissociation Constant (pKa)

8.83

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

M586-1472 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with M586-1472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M586-1472?
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What is the minimum amount of M586-1472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M586-1472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M586-1472
  • 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 M586-1472 available by request