M014-0477 Screening compound: N~8~-(3-chloro-4-methoxyphenyl)-10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-8-carboxamide

M014-0477 Screening compound: N~8~-(3-chloro-4-methoxyphenyl)-10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-8-carboxamide
M014-0477 Screening compound: N~8~-(3-chloro-4-methoxyphenyl)-10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M014-0477
N~8~-(3-chloro-4-methoxyphenyl)-10-ethyl-11-oxo-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

M014-0477

Molecular Formula

C23H19ClN2O4 (C23 H19 ClN2 O4)

Compound Name

N~8~-(3-chloro-4-methoxyphenyl)-10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-8-carboxamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-9-ethyl-10-oxo-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaene-6-carboxamide

SMILES

CCN(c(cc(cc1)C(Nc(cc2)cc(Cl)c2OC)=O)c1Oc1c2cccc1)C2=O

InChI

InChI=1S/C23H19ClN2O4/c1-3-26-18-12-14(22(27)25-15-9-11-20(29-2)17(24)13-15)8-10-21(18)30-19-7-5-4-6-16(19)23(26)28/h4-13H,3H2,1-2H3,(H,25,27)

InChI Key

LXOQNMFTRJZEJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27492228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.87

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

4.544

Distribution Coefficient, logD

4.543

Water Solubility, LogSw

-4.71

Polar Surface Area

53.283

Acid Dissociation Constant (pKa)

9.98

Base Dissociation Constant (pKb)

-2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

M014-0477 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 M014-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M014-0477?
Check Price and Availability of M014-0477, 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 M014-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M014-0477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M014-0477
  • 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 M014-0477 available by request