M007-0115 Screening compound: 3-[5-(1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-methyl-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazol-3-yl]pyridine

M007-0115 Screening compound: 3-[5-(1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-methyl-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazol-3-yl]pyridine
M007-0115 Screening compound: 3-[5-(1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-methyl-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazol-3-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound M007-0115
3-[5-(1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-methyl-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazol-3-yl]pyridine

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

M007-0115

Molecular Formula

C21H16ClN7O2 (C21 H16 ClN7 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(-c2nc(-c3cnccc3)no2)nnn1Cc1c(C)oc(-c2cccc(Cl)c2)n1

InChI

InChI=1S/C21H16ClN7O2/c1-12-18(21-25-19(27-31-21)15-6-4-8-23-10-15)26-28-29(12)11-17-13(2)30-20(24-17)14-5-3-7-16(22)9-14/h3-10H,11H2,1-2H3

InChI Key

VNJOMHHASSTPRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27491712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.330

Distribution Coefficient, logD

3.275

Water Solubility, LogSw

-3.65

Polar Surface Area

85.991

Acid Dissociation Constant (pKa)

23.19

Base Dissociation Constant (pKb)

6.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

M007-0115 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 M007-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M007-0115?
Check Price and Availability of M007-0115, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M007-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M007-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M007-0115
  • 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 M007-0115 available by request