M014-0587 Screening compound: 10-ethyl-11-oxo-N~8~-[2-(2-thienyl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]oxazepine-8-carboxamide

M014-0587 Screening compound: 10-ethyl-11-oxo-N~8~-[2-(2-thienyl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]oxazepine-8-carboxamide
M014-0587 Screening compound: 10-ethyl-11-oxo-N~8~-[2-(2-thienyl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]oxazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M014-0587
10-ethyl-11-oxo-N~8~-[2-(2-thienyl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]oxazepine-8-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

M014-0587

Molecular Formula

C22H20N2O3S (C22 H20 N2 O3 S)

Compound Name

10-ethyl-11-oxo-N~8~-[2-(2-thienyl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]oxazepine-8-carboxamide

IUPAC name

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

SMILES

CCN(c(cc(cc1)C(NCCc2cccs2)=O)c1Oc1c2cccc1)C2=O

InChI

InChI=1S/C22H20N2O3S/c1-2-24-18-14-15(21(25)23-12-11-16-6-5-13-28-16)9-10-20(18)27-19-8-4-3-7-17(19)22(24)26/h3-10,13-14H,2,11-12H2,1H3,(H,23,25)

InChI Key

YWPHJNOJPPWTSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27492244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.592

Distribution Coefficient, logD

3.592

Water Solubility, LogSw

-3.92

Polar Surface Area

47.835

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

M014-0587 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 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
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M014-0587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M014-0587?
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What is the minimum amount of M014-0587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M014-0587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M014-0587
  • 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 M014-0587 available by request