M249-2325 Screening compound: 7-(morpholine-4-carbonyl)-N-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide

M249-2325 Screening compound: 7-(morpholine-4-carbonyl)-N-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide
M249-2325 Screening compound: 7-(morpholine-4-carbonyl)-N-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M249-2325
7-(morpholine-4-carbonyl)-N-[2-(trifluoromethyl)phenyl]-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

M249-2325

Molecular Formula

C22H22F3N3O4 (C22 H22 F3 N3 O4)

Compound Name

7-(morpholine-4-carbonyl)-N-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide

IUPAC name

7-(morpholine-4-carbonyl)-N-[2-(trifluoromethyl)phenyl]-2345-tetrahydro-14-benzoxazepine-4-carboxamide

SMILES

O=C(c(cc1)cc(C2)c1OCCN2C(Nc1c(C(F)(F)F)cccc1)=O)N1CCOCC1

InChI

InChI=1S/C22H22F3N3O4/c23-22(24,25)17-3-1-2-4-18(17)26-21(30)28-9-12-32-19-6-5-15(13-16(19)14-28)20(29)27-7-10-31-11-8-27/h1-6,13H,7-12,14H2,(H,26,30)

InChI Key

YDYJGRVYQDOFLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31952827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.910

Distribution Coefficient, logD

2.910

Water Solubility, LogSw

-3.51

Polar Surface Area

57.511

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

M249-2325 in Drug Discovery

Included in Screening Libraries

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)

Included in 1.7M Stock Database

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 M249-2325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M249-2325?
Check Price and Availability of M249-2325, 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 M249-2325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M249-2325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M249-2325
  • 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 M249-2325 available by request