M416-0213 Screening compound: 5-{5-[2-chloro-5-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-3-yl}-2-methyl-1,3-benzoxazole

M416-0213 Screening compound: 5-{5-[2-chloro-5-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-3-yl}-2-methyl-1,3-benzoxazole
M416-0213 Screening compound: 5-{5-[2-chloro-5-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-3-yl}-2-methyl-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M416-0213
5-{5-[2-chloro-5-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-3-yl}-2-methyl-1,3-benzoxazole

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

M416-0213

Molecular Formula

C17H12ClN3O2S (C17 H12 ClN3 O2 S)

Compound Name

5-{5-[2-chloro-5-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-3-yl}-2-methyl-1,3-benzoxazole

IUPAC name

5-{5-[2-chloro-5-(methylsulfanyl)phenyl]-124-oxadiazol-3-yl}-2-methyl-13-benzoxazole

SMILES

Cc1nc(cc(cc2)-c3noc(-c(cc(cc4)SC)c4Cl)n3)c2o1

InChI

InChI=1S/C17H12ClN3O2S/c1-9-19-14-7-10(3-6-15(14)22-9)16-20-17(23-21-16)12-8-11(24-2)4-5-13(12)18/h3-8H,1-2H3

InChI Key

NXCCWORWGWDGCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27540510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.82

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.318

Distribution Coefficient, logD

5.318

Water Solubility, LogSw

-5.99

Polar Surface Area

47.954

Acid Dissociation Constant (pKa)

32.47

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

M416-0213 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M416-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M416-0213?
Check Price and Availability of M416-0213, 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 M416-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M416-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M416-0213
  • 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 M416-0213 available by request