M248-3576 Screening compound: 2-cyclopentyl-1-[7-(morpholine-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl]ethan-1-one

M248-3576 Screening compound: 2-cyclopentyl-1-[7-(morpholine-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl]ethan-1-one
M248-3576 Screening compound: 2-cyclopentyl-1-[7-(morpholine-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M248-3576
2-cyclopentyl-1-[7-(morpholine-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl]ethan-1-one

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

M248-3576

Molecular Formula

C21H28N2O4 (C21 H28 N2 O4)

Compound Name

2-cyclopentyl-1-[7-(morpholine-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl]ethan-1-one

IUPAC name

2-cyclopentyl-1-[7-(morpholine-4-carbonyl)-2345-tetrahydro-14-benzoxazepin-4-yl]ethan-1-one

SMILES

O=C(CC1CCCC1)N1Cc(cc(cc2)C(N3CCOCC3)=O)c2OCC1

InChI

InChI=1S/C21H28N2O4/c24-20(13-16-3-1-2-4-16)23-9-12-27-19-6-5-17(14-18(19)15-23)21(25)22-7-10-26-11-8-22/h5-6,14,16H,1-4,7-13,15H2

InChI Key

XVQTYMLXUCIBLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31952685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.052

Distribution Coefficient, logD

2.052

Water Solubility, LogSw

-2.73

Polar Surface Area

49.418

Acid Dissociation Constant (pKa)

23.65

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

M248-3576 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M248-3576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M248-3576?
Check Price and Availability of M248-3576, 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 M248-3576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M248-3576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M248-3576
  • 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 M248-3576 available by request