M014-0295 Screening compound: N~8~-(4-bromobenzyl)-10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-8-carboxamide

M014-0295 Screening compound: N~8~-(4-bromobenzyl)-10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-8-carboxamide
M014-0295 Screening compound: N~8~-(4-bromobenzyl)-10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M014-0295
N~8~-(4-bromobenzyl)-10-methyl-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

M014-0295

Molecular Formula

C22H17BrN2O3 (C22 H17 BrN2 O3)

Compound Name

N~8~-(4-bromobenzyl)-10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-8-carboxamide

IUPAC name

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

SMILES

CN(c(cc(cc1)C(NCc(cc2)ccc2Br)=O)c1Oc1c2cccc1)C2=O

InChI

InChI=1S/C22H17BrN2O3/c1-25-18-12-15(21(26)24-13-14-6-9-16(23)10-7-14)8-11-20(18)28-19-5-3-2-4-17(19)22(25)27/h2-12H,13H2,1H3,(H,24,26)

InChI Key

FYGHLOULOAEOGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27492184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.838

Distribution Coefficient, logD

3.838

Water Solubility, LogSw

-4.12

Polar Surface Area

47.016

Acid Dissociation Constant (pKa)

12.25

Base Dissociation Constant (pKb)

-4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

M014-0295 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 M014-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M014-0295?
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What is the minimum amount of M014-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M014-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M014-0295
  • 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 M014-0295 available by request