M013-0532 Screening compound: 3-(acetylamino)-N~1~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)-2-methylbenzamide

M013-0532 Screening compound: 3-(acetylamino)-N~1~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)-2-methylbenzamide
M013-0532 Screening compound: 3-(acetylamino)-N~1~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)-2-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M013-0532
3-(acetylamino)-N~1~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)-2-methylbenzamide

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

M013-0532

Molecular Formula

C26H25N3O4 (C26 H25 N3 O4)

Compound Name

3-(acetylamino)-N~1~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)-2-methylbenzamide

IUPAC name

3-acetamido-2-methyl-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(c2c(C)c(NC(C)=O)ccc2)=O)c1Oc1c2cccc1)C2=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.671

Distribution Coefficient, logD

3.670

Water Solubility, LogSw

-4.07

Polar Surface Area

68.213

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

M013-0532 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • 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 M013-0532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M013-0532?
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What is the minimum amount of M013-0532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M013-0532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M013-0532
  • 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 M013-0532 available by request