V016-8457 Screening compound: 2-({4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}carbamoyl)phenyl acetate

V016-8457 Screening compound: 2-({4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}carbamoyl)phenyl acetate
V016-8457 Screening compound: 2-({4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}carbamoyl)phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8457
2-({4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}carbamoyl)phenyl acetate

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

V016-8457

Molecular Formula

C27H26N2O7 (C27 H26 N2 O7)

Compound Name

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

IUPAC name

2-({4-[(23-dimethoxyphenyl)methyl]-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl}carbamoyl)phenyl acetate

SMILES

CC(Oc(cccc1)c1C(Nc(cc1)cc(CN2Cc(cccc3OC)c3OC)c1OCC2=O)=O)=O

InChI

InChI=1S/C27H26N2O7/c1-17(30)36-23-9-5-4-8-21(23)27(32)28-20-11-12-22-19(13-20)15-29(25(31)16-35-22)14-18-7-6-10-24(33-2)26(18)34-3/h4-13H,14-16H2,1-3H3,(H,28,32)

InChI Key

PXLLWJBTKHQKHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19854566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.813

Distribution Coefficient, logD

2.812

Water Solubility, LogSw

-3.63

Polar Surface Area

84.853

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

V016-8457 in Drug Discovery

Included in Screening Libraries

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 V016-8457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8457?
Check Price and Availability of V016-8457, 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 V016-8457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8457
  • 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 V016-8457 available by request