M013-0538 Screening compound: N~2~-{2-[(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)amino]-2-oxoethyl}-2-furamide

M013-0538 Screening compound: N~2~-{2-[(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)amino]-2-oxoethyl}-2-furamide
M013-0538 Screening compound: N~2~-{2-[(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)amino]-2-oxoethyl}-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M013-0538
N~2~-{2-[(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)amino]-2-oxoethyl}-2-furamide

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

M013-0538

Molecular Formula

C23H21N3O5 (C23 H21 N3 O5)

Compound Name

N~2~-{2-[(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)amino]-2-oxoethyl}-2-furamide

IUPAC name

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

SMILES

CC(C)N(c(cc(cc1)NC(CNC(c2ccco2)=O)=O)c1Oc1c2cccc1)C2=O

InChI

InChI=1S/C23H21N3O5/c1-14(2)26-17-12-15(25-21(27)13-24-22(28)20-8-5-11-30-20)9-10-19(17)31-18-7-4-3-6-16(18)23(26)29/h3-12,14H,13H2,1-2H3,(H,24,28)(H,25,27)

InChI Key

LWFUJDOYKXTROX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15138760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.216

Distribution Coefficient, logD

3.216

Water Solubility, LogSw

-3.84

Polar Surface Area

78.698

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

M013-0538 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M013-0538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M013-0538?
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What is the minimum amount of M013-0538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M013-0538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M013-0538
  • 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 M013-0538 available by request