V016-8415 Screening compound: N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzenesulfonamide

V016-8415 Screening compound: N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzenesulfonamide
V016-8415 Screening compound: N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8415
N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzenesulfonamide

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

V016-8415

Molecular Formula

C24H24N2O6S (C24 H24 N2 O6 S)

Compound Name

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

IUPAC name

N-{4-[(23-dimethoxyphenyl)methyl]-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl}benzenesulfonamide

SMILES

COc1cccc(CN(Cc(cc(cc2)NS(c3ccccc3)(=O)=O)c2OC2)C2=O)c1OC

InChI

InChI=1S/C24H24N2O6S/c1-30-22-10-6-7-17(24(22)31-2)14-26-15-18-13-19(11-12-21(18)32-16-23(26)27)25-33(28,29)20-8-4-3-5-9-20/h3-13,25H,14-16H2,1-2H3

InChI Key

NXQMVISUONLVEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19854703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.006

Distribution Coefficient, logD

2.965

Water Solubility, LogSw

-3.58

Polar Surface Area

81.574

Acid Dissociation Constant (pKa)

8.40

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

V016-8415 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V016-8415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8415?
Check Price and Availability of V016-8415, 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 V016-8415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8415
  • 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 V016-8415 available by request