M013-0151 Screening compound: N~2~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)-1H-indole-2-carboxamide

M013-0151 Screening compound: N~2~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)-1H-indole-2-carboxamide
M013-0151 Screening compound: 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 M013-0151
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

M013-0151

Molecular Formula

C23H17N3O3 (C23 H17 N3 O3)

Compound Name

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

IUPAC name

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(cccc3)c3[nH]2)=O)c1Oc1c2cccc1)C2=O

InChI

InChI=1S/C23H17N3O3/c1-26-19-13-15(24-22(27)18-12-14-6-2-4-8-17(14)25-18)10-11-21(19)29-20-9-5-3-7-16(20)23(26)28/h2-13,25H,1H3,(H,24,27)

InChI Key

KBQFGPSUDARTAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15138756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.41

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

4.236

Distribution Coefficient, logD

4.236

Water Solubility, LogSw

-4.35

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

M013-0151 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

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

Indole Derivatives (10091 compounds)

Protein-Protein Interaction Library (218420 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M013-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M013-0151?
Check Price and Availability of M013-0151, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M013-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M013-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M013-0151
  • 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 M013-0151 available by request