M248-3597 Screening compound: 4-cyclopropanecarbonyl-7-(morpholine-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

M248-3597 Screening compound: 4-cyclopropanecarbonyl-7-(morpholine-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
M248-3597 Screening compound: 4-cyclopropanecarbonyl-7-(morpholine-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound M248-3597
4-cyclopropanecarbonyl-7-(morpholine-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

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

M248-3597

Molecular Formula

C18H22N2O4 (C18 H22 N2 O4)

Compound Name

4-cyclopropanecarbonyl-7-(morpholine-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

IUPAC name

4-cyclopropanecarbonyl-7-(morpholine-4-carbonyl)-2345-tetrahydro-14-benzoxazepine

SMILES

O=C(C1CC1)N1Cc(cc(cc2)C(N3CCOCC3)=O)c2OCC1

InChI

InChI=1S/C18H22N2O4/c21-17(13-1-2-13)20-7-10-24-16-4-3-14(11-15(16)12-20)18(22)19-5-8-23-9-6-19/h3-4,11,13H,1-2,5-10,12H2

InChI Key

HJZIXBCSCZFBSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31972223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.069

Distribution Coefficient, logD

1.069

Water Solubility, LogSw

-2.08

Polar Surface Area

49.911

Acid Dissociation Constant (pKa)

22.33

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

M248-3597 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with M248-3597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M248-3597?
Check Price and Availability of M248-3597, 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 M248-3597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M248-3597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M248-3597
  • 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 M248-3597 available by request