M013-0163 Screening compound: 5-chloro-N~2~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)-1H-indole-2-carboxamide

M013-0163 Screening compound: 5-chloro-N~2~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)-1H-indole-2-carboxamide
M013-0163 Screening compound: 5-chloro-N~2~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M013-0163
5-chloro-N~2~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)-1H-indole-2-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

M013-0163

Molecular Formula

C23H16ClN3O3 (C23 H16 ClN3 O3)

Compound Name

5-chloro-N~2~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)-1H-indole-2-carboxamide

IUPAC name

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

SMILES

CN(c(cc(cc1)NC(c2cc(cc(cc3)Cl)c3[nH]2)=O)c1Oc1c2cccc1)C2=O

InChI

InChI=1S/C23H16ClN3O3/c1-27-19-12-15(7-9-21(19)30-20-5-3-2-4-16(20)23(27)29)25-22(28)18-11-13-10-14(24)6-8-17(13)26-18/h2-12,26H,1H3,(H,25,28)

InChI Key

XYQHEGDQKFWZNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15138757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.806

Distribution Coefficient, logD

4.806

Water Solubility, LogSw

-4.86

Polar Surface Area

55.043

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

M013-0163 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Indole Derivatives (10091 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Structure:
  • Cyclic compounds
  • Mimetics
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M013-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M013-0163?
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What is the minimum amount of M013-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M013-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M013-0163
  • 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 M013-0163 available by request