V003-3068 Screening compound: N~1~-[2-ethyl-3-oxo-4-(1-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2,6-dimethoxybenzamide

V003-3068 Screening compound: N~1~-[2-ethyl-3-oxo-4-(1-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2,6-dimethoxybenzamide
V003-3068 Screening compound: N~1~-[2-ethyl-3-oxo-4-(1-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2,6-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-3068
N~1~-[2-ethyl-3-oxo-4-(1-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2,6-dimethoxybenzamide

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

V003-3068

Molecular Formula

C29H32N2O5 (C29 H32 N2 O5)

Compound Name

N~1~-[2-ethyl-3-oxo-4-(1-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2,6-dimethoxybenzamide

IUPAC name

n/a

SMILES

CCC(c1ccccc1)N(Cc(cc(cc1)NC(c(c(OC)ccc2)c2OC)=O)c1OC1CC)C1=O

InChI

InChI=1S/C29H32N2O5/c1-5-22(19-11-8-7-9-12-19)31-18-20-17-21(15-16-24(20)36-23(6-2)29(31)33)30-28(32)27-25(34-3)13-10-14-26(27)35-4/h7-17,22-23H,5-6,18H2,1-4H3,(H,30,32)

InChI Key

RVHDLVCDFJWITN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19854474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.225

Distribution Coefficient, logD

5.166

Water Solubility, LogSw

-5.11

Polar Surface Area

62.218

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.03

V003-3068 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 V003-3068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3068?
Check Price and Availability of V003-3068, 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 V003-3068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3068
  • 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 V003-3068 available by request