M013-0573 Screening compound: 4-cyano-N~1~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)benzamide

M013-0573 Screening compound: 4-cyano-N~1~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)benzamide
M013-0573 Screening compound: 4-cyano-N~1~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M013-0573
4-cyano-N~1~-(10-isopropyl-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

M013-0573

Molecular Formula

C24H19N3O3 (C24 H19 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N(c(cc(cc1)NC(c(cc2)ccc2C#N)=O)c1Oc1c2cccc1)C2=O

InChI

InChI=1S/C24H19N3O3/c1-15(2)27-20-13-18(26-23(28)17-9-7-16(14-25)8-10-17)11-12-22(20)30-21-6-4-3-5-19(21)24(27)29/h3-13,15H,1-2H3,(H,26,28)

InChI Key

DRBJULQHMLQACL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15138762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.108

Distribution Coefficient, logD

4.106

Water Solubility, LogSw

-4.45

Polar Surface Area

62.705

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

M013-0573 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M013-0573 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M013-0573?
Check Price and Availability of M013-0573, 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 M013-0573 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M013-0573
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M013-0573
  • 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 M013-0573 available by request