M040-1114 Screening compound: 3-(2-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-8-methoxy-2H-chromen-2-one

M040-1114 Screening compound: 3-(2-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-8-methoxy-2H-chromen-2-one
M040-1114 Screening compound: 3-(2-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-8-methoxy-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M040-1114
3-(2-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-8-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

M040-1114

Molecular Formula

C23H15N3O6S (C23 H15 N3 O6 S)

Compound Name

3-(2-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-8-methoxy-2H-chromen-2-one

IUPAC name

3-(2-{[3-(2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]methyl}-13-thiazol-4-yl)-8-methoxy-2H-chromen-2-one

SMILES

COc1cccc(C=C2c3csc(Cc4nc(-c(cc5)cc6c5OCO6)no4)n3)c1OC2=O

InChI

InChI=1S/C23H15N3O6S/c1-28-17-4-2-3-12-7-14(23(27)31-21(12)17)15-10-33-20(24-15)9-19-25-22(26-32-19)13-5-6-16-18(8-13)30-11-29-16/h2-8,10H,9,11H2,1H3

InChI Key

WVQUXHIBDOJXNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.824

Distribution Coefficient, logD

4.824

Water Solubility, LogSw

-4.84

Polar Surface Area

86.891

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

M040-1114 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 M040-1114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M040-1114?
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What is the minimum amount of M040-1114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M040-1114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M040-1114
  • 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 M040-1114 available by request