M007-0106 Screening compound: 5-(1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-methyl-1H-1,2,3-triazol-4-yl)-3-(3-fluorophenyl)-1,2,4-oxadiazole

M007-0106 Screening compound: 5-(1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-methyl-1H-1,2,3-triazol-4-yl)-3-(3-fluorophenyl)-1,2,4-oxadiazole
M007-0106 Screening compound: 5-(1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-methyl-1H-1,2,3-triazol-4-yl)-3-(3-fluorophenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M007-0106
5-(1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-methyl-1H-1,2,3-triazol-4-yl)-3-(3-fluorophenyl)-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

M007-0106

Molecular Formula

C22H16ClFN6O2 (C22 H16 ClFN6 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(-c2nc(-c3cc(F)ccc3)no2)nnn1Cc1c(C)oc(-c2cccc(Cl)c2)n1

InChI

InChI=1S/C22H16ClFN6O2/c1-12-19(22-26-20(28-32-22)14-5-4-8-17(24)10-14)27-29-30(12)11-18-13(2)31-21(25-18)15-6-3-7-16(23)9-15/h3-10H,11H2,1-2H3

InChI Key

ORTNTJUBJOCPFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27491709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.932

Distribution Coefficient, logD

4.932

Water Solubility, LogSw

-5.06

Polar Surface Area

76.473

Acid Dissociation Constant (pKa)

23.19

Base Dissociation Constant (pKb)

2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

M007-0106 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • 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 M007-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M007-0106?
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What is the minimum amount of M007-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M007-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M007-0106
  • 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 M007-0106 available by request