V016-8445 Screening compound: benzyl N-[4-(2,3-dimethoxybenzyl)-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]carbamate

V016-8445 Screening compound: benzyl N-[4-(2,3-dimethoxybenzyl)-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]carbamate
V016-8445 Screening compound: benzyl N-[4-(2,3-dimethoxybenzyl)-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8445
benzyl N-[4-(2,3-dimethoxybenzyl)-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]carbamate

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

V016-8445

Molecular Formula

C26H26N2O6 (C26 H26 N2 O6)

Compound Name

benzyl N-[4-(2,3-dimethoxybenzyl)-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]carbamate

IUPAC name

n/a

SMILES

COc1cccc(CN(Cc(cc(cc2)NC(OCc3ccccc3)=O)c2OC2)C2=O)c1OC

InChI

InChI=1S/C26H26N2O6/c1-31-23-10-6-9-19(25(23)32-2)14-28-15-20-13-21(11-12-22(20)33-17-24(28)29)27-26(30)34-16-18-7-4-3-5-8-18/h3-13H,14-17H2,1-2H3,(H,27,30)

InChI Key

LYTGXQDTGFDSHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19854565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.018

Distribution Coefficient, logD

4.018

Water Solubility, LogSw

-4.33

Polar Surface Area

72.472

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

V016-8445 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

PI3K-Targeted Library (17255 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V016-8445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8445?
Check Price and Availability of V016-8445, 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 V016-8445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8445
  • 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 V016-8445 available by request