M007-0081 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-5-(5-methyl-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazole

M007-0081 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-5-(5-methyl-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazole
M007-0081 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-5-(5-methyl-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M007-0081
3-(2H-1,3-benzodioxol-5-yl)-5-(5-methyl-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazole

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

M007-0081

Molecular Formula

C24H20N6O4 (C24 H20 N6 O4)

Compound Name

3-(2H-1,3-benzodioxol-5-yl)-5-(5-methyl-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazole

IUPAC name

3-(2H-13-benzodioxol-5-yl)-5-(5-methyl-1-{[5-methyl-2-(4-methylphenyl)-13-oxazol-4-yl]methyl}-1H-123-triazol-4-yl)-124-oxadiazole

SMILES

Cc1c(-c2nc(-c(cc3)cc4c3OCO4)no2)nnn1Cc1c(C)oc(-c2ccc(C)cc2)n1

InChI

InChI=1S/C24H20N6O4/c1-13-4-6-16(7-5-13)23-25-18(15(3)33-23)11-30-14(2)21(27-29-30)24-26-22(28-34-24)17-8-9-19-20(10-17)32-12-31-19/h4-10H,11-12H2,1-3H3

InChI Key

IQCYZFBPHAWQRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16635943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.573

Distribution Coefficient, logD

4.573

Water Solubility, LogSw

-4.46

Polar Surface Area

93.589

Acid Dissociation Constant (pKa)

23.19

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

M007-0081 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M007-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M007-0081?
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What is the minimum amount of M007-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M007-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M007-0081
  • 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 M007-0081 available by request