M013-0134 Screening compound: 3-bromo-N~1~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)benzamide

M013-0134 Screening compound: 3-bromo-N~1~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)benzamide
M013-0134 Screening compound: 3-bromo-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 M013-0134
3-bromo-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

M013-0134

Molecular Formula

C21H15BrN2O3 (C21 H15 BrN2 O3)

Compound Name

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

IUPAC name

3-bromo-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(c2cccc(Br)c2)=O)c1Oc1c2cccc1)C2=O

InChI

InChI=1S/C21H15BrN2O3/c1-24-17-12-15(23-20(25)13-5-4-6-14(22)11-13)9-10-19(17)27-18-8-3-2-7-16(18)21(24)26/h2-12H,1H3,(H,23,25)

InChI Key

UJOVKLSWJIOHDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15138753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.246

Distribution Coefficient, logD

4.243

Water Solubility, LogSw

-4.50

Polar Surface Area

45.694

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

M013-0134 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Ion Channels
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M013-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M013-0134?
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What is the minimum amount of M013-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M013-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M013-0134
  • 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 M013-0134 available by request