V028-4730 Screening compound: N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-nitrobenzamide

V028-4730 Screening compound: N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-nitrobenzamide
V028-4730 Screening compound: N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-4730
N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-nitrobenzamide

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

V028-4730

Molecular Formula

C26H23N3O7 (C26 H23 N3 O7)

Compound Name

N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-nitrobenzamide

IUPAC name

N-{4-[(2H-13-benzodioxol-5-yl)methyl]-2-ethyl-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl}-4-nitrobenzamide

SMILES

CCC(C(N(Cc(cc1)cc2c1OCO2)C1)=O)Oc(cc2)c1cc2NC(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C26H23N3O7/c1-2-21-26(31)28(13-16-3-9-23-24(11-16)35-15-34-23)14-18-12-19(6-10-22(18)36-21)27-25(30)17-4-7-20(8-5-17)29(32)33/h3-12,21H,2,13-15H2,1H3,(H,27,30)/t21-/m1/s1

InChI Key

XYHWBWMEFWBRDP-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19849217

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

489.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.334

Distribution Coefficient, logD

4.333

Water Solubility, LogSw

-4.39

Polar Surface Area

98.363

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with V028-4730 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-4730?
Check Price and Availability of V028-4730, 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 V028-4730 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-4730
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-4730
  • 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 V028-4730 available by request