M014-0429 Screening compound: 9-ETHYL-10-OXO-N-[(OXOLAN-2-YL)METHYL]-2-OXA-9-AZATRICYCLO[9.4.0.0{38}]PENTADECA-1(11)3571214-HEXAENE-6-CARBOXAMIDE

M014-0429 Screening compound: 9-ETHYL-10-OXO-N-[(OXOLAN-2-YL)METHYL]-2-OXA-9-AZATRICYCLO[9.4.0.0{38}]PENTADECA-1(11)3571214-HEXAENE-6-CARBOXAMIDE
M014-0429 Screening compound: 9-ETHYL-10-OXO-N-[(OXOLAN-2-YL)METHYL]-2-OXA-9-AZATRICYCLO[9.4.0.0{38}]PENTADECA-1(11)3571214-HEXAENE-6-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound M014-0429
9-ETHYL-10-OXO-N-[(OXOLAN-2-YL)METHYL]-2-OXA-9-AZATRICYCLO[9.4.0.0{38}]PENTADECA-1(11)3571214-HEXAENE-6-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

M014-0429

Molecular Formula

C21H22N2O4 (C21 H22 N2 O4)

Compound Name

9-ETHYL-10-OXO-N-[(OXOLAN-2-YL)METHYL]-2-OXA-9-AZATRICYCLO[9.4.0.0{38}]PENTADECA-1(11)3571214-HEXAENE-6-CARBOXAMIDE

IUPAC name

9-ethyl-10-oxo-N-[(oxolan-2-yl)methyl]-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaene-6-carboxamide

SMILES

CCN(c(cc(cc1)C(NCC2OCCC2)=O)c1Oc1c2cccc1)C2=O

InChI

InChI=1S/C21H22N2O4/c1-2-23-17-12-14(20(24)22-13-15-6-5-11-26-15)9-10-19(17)27-18-8-4-3-7-16(18)21(23)25/h3-4,7-10,12,15H,2,5-6,11,13H2,1H3,(H,22,24)/t15-/m1/s1

InChI Key

AQGROQICPHLZJP-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27492218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.250

Distribution Coefficient, logD

2.250

Water Solubility, LogSw

-3.09

Polar Surface Area

55.629

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

-2.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

M014-0429 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

New Agro Library (44492 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
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M014-0429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M014-0429?
Check Price and Availability of M014-0429, 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 M014-0429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M014-0429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M014-0429
  • 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 M014-0429 available by request