M013-0147 Screening compound: 3,4-dimethoxy-N~1~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)benzamide

M013-0147 Screening compound: 3,4-dimethoxy-N~1~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)benzamide
M013-0147 Screening compound: 3,4-dimethoxy-N~1~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M013-0147
3,4-dimethoxy-N~1~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)benzamide

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

M013-0147

Molecular Formula

C23H20N2O5 (C23 H20 N2 O5)

Compound Name

3,4-dimethoxy-N~1~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)benzamide

IUPAC name

34-dimethoxy-N-{9-methyl-10-oxo-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-6-yl}benzamide

SMILES

CN(c(cc(cc1)NC(c(cc2)cc(OC)c2OC)=O)c1Oc1c2cccc1)C2=O

InChI

InChI=1S/C23H20N2O5/c1-25-17-13-15(24-22(26)14-8-10-20(28-2)21(12-14)29-3)9-11-19(17)30-18-7-5-4-6-16(18)23(25)27/h4-13H,1-3H3,(H,24,26)

InChI Key

BSBKCSAPYYPBMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15138754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.022

Distribution Coefficient, logD

3.022

Water Solubility, LogSw

-3.74

Polar Surface Area

60.954

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

M013-0147 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human GPCR Annotated Library (5539 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M013-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M013-0147?
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What is the minimum amount of M013-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M013-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M013-0147
  • 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 M013-0147 available by request