V014-5680 Screening compound: N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,5-dimethoxybenzamide

V014-5680 Screening compound: N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,5-dimethoxybenzamide
V014-5680 Screening compound: N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,5-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-5680
N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,5-dimethoxybenzamide

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

V014-5680

Molecular Formula

C27H26N2O7 (C27 H26 N2 O7)

Compound Name

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

IUPAC name

N-{4-[(2H-13-benzodioxol-5-yl)methyl]-2-methyl-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl}-35-dimethoxybenzamide

SMILES

CC(C(N(Cc(cc1)cc2c1OCO2)C1)=O)Oc(cc2)c1cc2NC(c1cc(OC)cc(OC)c1)=O

InChI

InChI=1S/C27H26N2O7/c1-16-27(31)29(13-17-4-6-24-25(8-17)35-15-34-24)14-19-9-20(5-7-23(19)36-16)28-26(30)18-10-21(32-2)12-22(11-18)33-3/h4-12,16H,13-15H2,1-3H3,(H,28,30)/t16-/m0/s1

InChI Key

ZCETZEHCCJTTBQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19849237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.019

Distribution Coefficient, logD

4.019

Water Solubility, LogSw

-4.24

Polar Surface Area

79.875

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with V014-5680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-5680?
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What is the minimum amount of V014-5680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-5680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-5680
  • 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 V014-5680 available by request