M040-1119 Screening compound: 8-methoxy-3-[2-({3-[4-(propan-2-yloxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1,3-thiazol-4-yl]-2H-chromen-2-one

M040-1119 Screening compound: 8-methoxy-3-[2-({3-[4-(propan-2-yloxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1,3-thiazol-4-yl]-2H-chromen-2-one
M040-1119 Screening compound: 8-methoxy-3-[2-({3-[4-(propan-2-yloxy)phenyl]-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 M040-1119
8-methoxy-3-[2-({3-[4-(propan-2-yloxy)phenyl]-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

M040-1119

Molecular Formula

C25H21N3O5S (C25 H21 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)Oc(cc1)ccc1-c1noc(Cc2nc(C3=Cc(cccc4OC)c4OC3=O)cs2)n1

InChI

InChI=1S/C25H21N3O5S/c1-14(2)31-17-9-7-15(8-10-17)24-27-21(33-28-24)12-22-26-19(13-34-22)18-11-16-5-4-6-20(30-3)23(16)32-25(18)29/h4-11,13-14H,12H2,1-3H3

InChI Key

FZSVMTJGFLXVEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.570

Distribution Coefficient, logD

5.570

Water Solubility, LogSw

-5.41

Polar Surface Area

76.578

Acid Dissociation Constant (pKa)

28.56

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

M040-1119 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with M040-1119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M040-1119?
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What is the minimum amount of M040-1119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M040-1119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M040-1119
  • 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 M040-1119 available by request