V017-6970 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}-2-phenoxyacetamide

V017-6970 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}-2-phenoxyacetamide
V017-6970 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}-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-6970
N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenoxyacetamide

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

V017-6970

Molecular Formula

C27H26N2O6 (C27 H26 N2 O6)

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}-2-phenoxyacetamide

IUPAC name

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

SMILES

CCC(C(N(Cc(cc1)cc2c1OCO2)C1)=O)Oc(cc2)c1cc2NC(COc1ccccc1)=O

InChI

InChI=1S/C27H26N2O6/c1-2-22-27(31)29(14-18-8-10-24-25(12-18)34-17-33-24)15-19-13-20(9-11-23(19)35-22)28-26(30)16-32-21-6-4-3-5-7-21/h3-13,22H,2,14-17H2,1H3,(H,28,30)/t22-/m0/s1

InChI Key

PFDOVNFGIZCXON-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19849224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.414

Distribution Coefficient, logD

4.414

Water Solubility, LogSw

-4.27

Polar Surface Area

72.268

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

5.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

V017-6970 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V017-6970 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-6970?
Check Price and Availability of V017-6970, 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 V017-6970 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-6970
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-6970
  • 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 V017-6970 available by request