M249-0053 Screening compound: N-(2-ethoxyphenyl)-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide

M249-0053 Screening compound: N-(2-ethoxyphenyl)-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide
M249-0053 Screening compound: N-(2-ethoxyphenyl)-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M249-0053
N-(2-ethoxyphenyl)-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide

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

M249-0053

Molecular Formula

C23H27N3O4 (C23 H27 N3 O4)

Compound Name

N-(2-ethoxyphenyl)-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide

IUPAC name

N-(2-ethoxyphenyl)-7-(pyrrolidine-1-carbonyl)-2345-tetrahydro-14-benzoxazepine-4-carboxamide

SMILES

CCOc(cccc1)c1NC(N1Cc(cc(cc2)C(N3CCCC3)=O)c2OCC1)=O

InChI

InChI=1S/C23H27N3O4/c1-2-29-21-8-4-3-7-19(21)24-23(28)26-13-14-30-20-10-9-17(15-18(20)16-26)22(27)25-11-5-6-12-25/h3-4,7-10,15H,2,5-6,11-14,16H2,1H3,(H,24,28)

InChI Key

MVBWDEYDDKOVJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31952792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.440

Distribution Coefficient, logD

3.440

Water Solubility, LogSw

-3.53

Polar Surface Area

57.178

Acid Dissociation Constant (pKa)

12.84

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

M249-0053 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with M249-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M249-0053?
Check Price and Availability of M249-0053, 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 M249-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M249-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M249-0053
  • 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 M249-0053 available by request