M338-0061 Screening compound: 7-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

M338-0061 Screening compound: 7-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
M338-0061 Screening compound: 7-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M338-0061
7-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

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

M338-0061

Molecular Formula

C18H20N4O4 (C18 H20 N4 O4)

Compound Name

7-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

7-[5-(azepane-1-carbonyl)-124-oxadiazol-3-yl]-4-methyl-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CN1c(ccc(-c2noc(C(N3CCCCCC3)=O)n2)c2)c2OCC1=O

InChI

InChI=1S/C18H20N4O4/c1-21-13-7-6-12(10-14(13)25-11-15(21)23)16-19-17(26-20-16)18(24)22-8-4-2-3-5-9-22/h6-7,10H,2-5,8-9,11H2,1H3

InChI Key

VVTHOSWNQLHOAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27537273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.263

Distribution Coefficient, logD

2.263

Water Solubility, LogSw

-2.81

Polar Surface Area

72.762

Acid Dissociation Constant (pKa)

19.65

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

M338-0061 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with M338-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M338-0061?
Check Price and Availability of M338-0061, 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 M338-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M338-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M338-0061
  • 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 M338-0061 available by request