M013-0528 Screening compound: N~1~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)-2,4-dimethoxybenzamide

M013-0528 Screening compound: N~1~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)-2,4-dimethoxybenzamide
M013-0528 Screening compound: N~1~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)-2,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M013-0528
N~1~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)-2,4-dimethoxybenzamide

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

M013-0528

Molecular Formula

C25H24N2O5 (C25 H24 N2 O5)

Compound Name

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

IUPAC name

24-dimethoxy-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(ccc(OC)c2)c2OC)=O)c1Oc1c2cccc1)C2=O

InChI

InChI=1S/C25H24N2O5/c1-15(2)27-20-13-16(26-24(28)18-11-10-17(30-3)14-23(18)31-4)9-12-22(20)32-21-8-6-5-7-19(21)25(27)29/h5-15H,1-4H3,(H,26,28)

InChI Key

CPBRWCJJZWFZTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15138758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.478

Distribution Coefficient, logD

4.475

Water Solubility, LogSw

-4.45

Polar Surface Area

60.823

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

M013-0528 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M013-0528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M013-0528?
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What is the minimum amount of M013-0528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M013-0528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M013-0528
  • 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 M013-0528 available by request