M040-1069 Screening compound: 7-methoxy-3-(2-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-2H-chromen-2-one

M040-1069 Screening compound: 7-methoxy-3-(2-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-2H-chromen-2-one
M040-1069 Screening compound: 7-methoxy-3-(2-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M040-1069
7-methoxy-3-(2-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-2H-chromen-2-one

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

M040-1069

Molecular Formula

C21H14N4O4S (C21 H14 N4 O4 S)

Compound Name

7-methoxy-3-(2-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-2H-chromen-2-one

IUPAC name

7-methoxy-3-(2-{[3-(pyridin-3-yl)-124-oxadiazol-5-yl]methyl}-13-thiazol-4-yl)-2H-chromen-2-one

SMILES

COc(cc1)cc(O2)c1C=C(c1csc(Cc3nc(-c4cnccc4)no3)n1)C2=O

InChI

InChI=1S/C21H14N4O4S/c1-27-14-5-4-12-7-15(21(26)28-17(12)8-14)16-11-30-19(23-16)9-18-24-20(25-29-18)13-3-2-6-22-10-13/h2-8,10-11H,9H2,1H3

InChI Key

VMMSFVPBYKIXOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.578

Distribution Coefficient, logD

2.939

Water Solubility, LogSw

-3.74

Polar Surface Area

79.522

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

M040-1069 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with M040-1069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M040-1069?
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What is the minimum amount of M040-1069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M040-1069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M040-1069
  • 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 M040-1069 available by request