M248-0506 Screening compound: 4-acetyl-N-benzyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide

M248-0506 Screening compound: 4-acetyl-N-benzyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
M248-0506 Screening compound: 4-acetyl-N-benzyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M248-0506
4-acetyl-N-benzyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-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

M248-0506

Molecular Formula

C19H20N2O3 (C19 H20 N2 O3)

Compound Name

4-acetyl-N-benzyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide

IUPAC name

4-acetyl-N-benzyl-2345-tetrahydro-14-benzoxazepine-7-carboxamide

SMILES

CC(N1Cc(cc(cc2)C(NCc3ccccc3)=O)c2OCC1)=O

InChI

InChI=1S/C19H20N2O3/c1-14(22)21-9-10-24-18-8-7-16(11-17(18)13-21)19(23)20-12-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,20,23)

InChI Key

ACJIGDWQBIUISZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31972178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.188

Distribution Coefficient, logD

2.188

Water Solubility, LogSw

-2.88

Polar Surface Area

49.984

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

M248-0506 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with M248-0506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M248-0506?
Check Price and Availability of M248-0506, 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 M248-0506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M248-0506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M248-0506
  • 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 M248-0506 available by request