V016-8596 Screening compound: 4-cyano-N-{4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide

V016-8596 Screening compound: 4-cyano-N-{4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide
V016-8596 Screening compound: 4-cyano-N-{4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8596
4-cyano-N-{4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide

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

V016-8596

Molecular Formula

C26H23N3O4 (C26 H23 N3 O4)

Compound Name

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

IUPAC name

4-cyano-N-{4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl}benzamide

SMILES

CC(C(N(Cc(cccc1)c1OC)C1)=O)Oc(cc2)c1cc2NC(c(cc1)ccc1C#N)=O

InChI

InChI=1S/C26H23N3O4/c1-17-26(31)29(15-20-5-3-4-6-23(20)32-2)16-21-13-22(11-12-24(21)33-17)28-25(30)19-9-7-18(14-27)8-10-19/h3-13,17H,15-16H2,1-2H3,(H,28,30)/t17-/m0/s1

InChI Key

AODSJANTZWJJEW-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19854336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.775

Distribution Coefficient, logD

3.774

Water Solubility, LogSw

-4.14

Polar Surface Area

72.359

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

V016-8596 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V016-8596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8596?
Check Price and Availability of V016-8596, 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 V016-8596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8596
  • 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 V016-8596 available by request