M014-0516 Screening compound: 10-ethyl-8-(piperidinocarbonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one

M014-0516 Screening compound: 10-ethyl-8-(piperidinocarbonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
M014-0516 Screening compound: 10-ethyl-8-(piperidinocarbonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M014-0516
10-ethyl-8-(piperidinocarbonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-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

M014-0516

Molecular Formula

C21H22N2O3 (C21 H22 N2 O3)

Compound Name

10-ethyl-8-(piperidinocarbonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one

IUPAC name

9-ethyl-6-(piperidine-1-carbonyl)-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-10-one

SMILES

CCN(c(cc(cc1)C(N2CCCCC2)=O)c1Oc1c2cccc1)C2=O

InChI

InChI=1S/C21H22N2O3/c1-2-23-17-14-15(20(24)22-12-6-3-7-13-22)10-11-19(17)26-18-9-5-4-8-16(18)21(23)25/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3

InChI Key

ADTCMUPHCJFVHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27492237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.030

Distribution Coefficient, logD

3.030

Water Solubility, LogSw

-3.48

Polar Surface Area

39.210

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

M014-0516 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M014-0516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M014-0516?
Check Price and Availability of M014-0516, 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 M014-0516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M014-0516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M014-0516
  • 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 M014-0516 available by request