M013-0083 Screening compound: N~2~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)-2-thiophenecarboxamide

M013-0083 Screening compound: N~2~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)-2-thiophenecarboxamide
M013-0083 Screening compound: N~2~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M013-0083
N~2~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)-2-thiophenecarboxamide

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

M013-0083

Molecular Formula

C19H14N2O3S (C19 H14 N2 O3 S)

Compound Name

N~2~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)-2-thiophenecarboxamide

IUPAC name

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

SMILES

CN(c(cc(cc1)NC(c2cccs2)=O)c1Oc1c2cccc1)C2=O

InChI

InChI=1S/C19H14N2O3S/c1-21-14-11-12(20-18(22)17-7-4-10-25-17)8-9-16(14)24-15-6-3-2-5-13(15)19(21)23/h2-11H,1H3,(H,20,22)

InChI Key

SIAOUSXDGKTAOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15138745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.4

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

3.310

Distribution Coefficient, logD

3.310

Water Solubility, LogSw

-3.99

Polar Surface Area

46.712

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

M013-0083 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS Targets (44014 compounds)

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:
  • Antiviral
  • Infections
  • Immune system
  • Nervous 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 M013-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M013-0083?
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What is the minimum amount of M013-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M013-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M013-0083
  • 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 M013-0083 available by request