M416-0549 Screening compound: 2-ethyl-5-{5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1,3-benzoxazole

M416-0549 Screening compound: 2-ethyl-5-{5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1,3-benzoxazole
M416-0549 Screening compound: 2-ethyl-5-{5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M416-0549
2-ethyl-5-{5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl}-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

M416-0549

Molecular Formula

C19H17N3O2 (C19 H17 N3 O2)

Compound Name

2-ethyl-5-{5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1,3-benzoxazole

IUPAC name

2-ethyl-5-{5-[(4-methylphenyl)methyl]-124-oxadiazol-3-yl}-13-benzoxazole

SMILES

CCc1nc(cc(cc2)-c3noc(Cc4ccc(C)cc4)n3)c2o1

InChI

InChI=1S/C19H17N3O2/c1-3-17-20-15-11-14(8-9-16(15)23-17)19-21-18(24-22-19)10-13-6-4-12(2)5-7-13/h4-9,11H,3,10H2,1-2H3

InChI Key

RTPKIXHWYILJJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27540722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.239

Distribution Coefficient, logD

5.239

Water Solubility, LogSw

-5.11

Polar Surface Area

48.057

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

M416-0549 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with M416-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M416-0549?
Check Price and Availability of M416-0549, 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 M416-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M416-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M416-0549
  • 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 M416-0549 available by request