V017-4566 Screening compound: N-{4-[(2-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzenesulfonamide

V017-4566 Screening compound: N-{4-[(2-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzenesulfonamide
V017-4566 Screening compound: N-{4-[(2-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-4566
N-{4-[(2-chlorophenyl)methyl]-2-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

V017-4566

Molecular Formula

C23H21ClN2O4S (C23 H21 ClN2 O4 S)

Compound Name

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

IUPAC name

N-{4-[(2-chlorophenyl)methyl]-2-methyl-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl}benzenesulfonamide

SMILES

CC(C(N(Cc(cccc1)c1Cl)C1)=O)Oc(cc2)c1cc2NS(c1ccccc1)(=O)=O

InChI

InChI=1S/C23H21ClN2O4S/c1-16-23(27)26(14-17-7-5-6-10-21(17)24)15-18-13-19(11-12-22(18)30-16)25-31(28,29)20-8-3-2-4-9-20/h2-13,16,25H,14-15H2,1H3/t16-/m0/s1

InChI Key

DUQZCPLDDJXEJB-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19850086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.379

Distribution Coefficient, logD

4.338

Water Solubility, LogSw

-4.40

Polar Surface Area

65.230

Acid Dissociation Constant (pKa)

8.40

Base Dissociation Constant (pKb)

-4.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

V017-4566 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Nucleic Acid Ligands (8311 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with V017-4566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-4566?
Check Price and Availability of V017-4566, 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 V017-4566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-4566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-4566
  • 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 V017-4566 available by request