M338-0019 Screening compound: 3-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[(pyridin-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

M338-0019 Screening compound: 3-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[(pyridin-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
M338-0019 Screening compound: 3-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[(pyridin-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M338-0019
3-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[(pyridin-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

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

M338-0019

Molecular Formula

C18H15N5O4 (C18 H15 N5 O4)

Compound Name

3-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[(pyridin-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

IUPAC name

3-(4-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-7-yl)-N-[(pyridin-3-yl)methyl]-124-oxadiazole-5-carboxamide

SMILES

CN1c(ccc(-c2noc(C(NCc3cnccc3)=O)n2)c2)c2OCC1=O

InChI

InChI=1S/C18H15N5O4/c1-23-13-5-4-12(7-14(13)26-10-15(23)24)16-21-18(27-22-16)17(25)20-9-11-3-2-6-19-8-11/h2-8H,9-10H2,1H3,(H,20,25)

InChI Key

VBCPBMGFMPAMJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27537265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.953

Distribution Coefficient, logD

0.953

Water Solubility, LogSw

-1.33

Polar Surface Area

89.714

Acid Dissociation Constant (pKa)

12.63

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

M338-0019 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with M338-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M338-0019?
Check Price and Availability of M338-0019, 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 M338-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M338-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M338-0019
  • 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 M338-0019 available by request