M040-1059 Screening compound: 3-(2-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-7-methoxy-2H-chromen-2-one

M040-1059 Screening compound: 3-(2-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-7-methoxy-2H-chromen-2-one
M040-1059 Screening compound: 3-(2-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-7-methoxy-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M040-1059
3-(2-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-7-methoxy-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

M040-1059

Molecular Formula

C24H19N3O6S (C24 H19 N3 O6 S)

Compound Name

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

IUPAC name

3-(2-{[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]methyl}-13-thiazol-4-yl)-7-methoxy-2H-chromen-2-one

SMILES

COc(cc1)cc(O2)c1C=C(c1csc(Cc3nc(-c(cc4)cc(OC)c4OC)no3)n1)C2=O

InChI

InChI=1S/C24H19N3O6S/c1-29-15-6-4-13-8-16(24(28)32-19(13)10-15)17-12-34-22(25-17)11-21-26-23(27-33-21)14-5-7-18(30-2)20(9-14)31-3/h4-10,12H,11H2,1-3H3

InChI Key

HGGFRKIBXUZRIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.681

Distribution Coefficient, logD

4.681

Water Solubility, LogSw

-4.67

Polar Surface Area

85.265

Acid Dissociation Constant (pKa)

32.43

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

M040-1059 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with M040-1059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M040-1059?
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What is the minimum amount of M040-1059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M040-1059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M040-1059
  • 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 M040-1059 available by request