M249-0397 Screening compound: N7-benzyl-N4-[(furan-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-4,7-dicarboxamide

M249-0397 Screening compound: N7-benzyl-N4-[(furan-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-4,7-dicarboxamide
M249-0397 Screening compound: N7-benzyl-N4-[(furan-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-4,7-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M249-0397
N7-benzyl-N4-[(furan-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-4,7-dicarboxamide

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

M249-0397

Molecular Formula

C23H23N3O4 (C23 H23 N3 O4)

Compound Name

N7-benzyl-N4-[(furan-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-4,7-dicarboxamide

IUPAC name

N7-benzyl-N4-[(furan-2-yl)methyl]-2345-tetrahydro-14-benzoxazepine-47-dicarboxamide

SMILES

O=C(c(cc1)cc(C2)c1OCCN2C(NCc1ccco1)=O)NCc1ccccc1

InChI

InChI=1S/C23H23N3O4/c27-22(24-14-17-5-2-1-3-6-17)18-8-9-21-19(13-18)16-26(10-12-30-21)23(28)25-15-20-7-4-11-29-20/h1-9,11,13H,10,12,14-16H2,(H,24,27)(H,25,28)

InChI Key

DQDXYRAHPXHCGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31972265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.204

Distribution Coefficient, logD

3.204

Water Solubility, LogSw

-3.36

Polar Surface Area

67.136

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.74

References: we are preparing a list of scientific research reports with M249-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M249-0397?
Check Price and Availability of M249-0397, 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 M249-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M249-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M249-0397
  • 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 M249-0397 available by request