V003-3866 Screening compound: N~1~-[4-(3,4-dimethoxyphenethyl)-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2-phenylbutanamide

V003-3866 Screening compound: N~1~-[4-(3,4-dimethoxyphenethyl)-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2-phenylbutanamide
V003-3866 Screening compound: N~1~-[4-(3,4-dimethoxyphenethyl)-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-3866
N~1~-[4-(3,4-dimethoxyphenethyl)-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2-phenylbutanamide

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

V003-3866

Molecular Formula

C30H34N2O5 (C30 H34 N2 O5)

Compound Name

N~1~-[4-(3,4-dimethoxyphenethyl)-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2-phenylbutanamide

IUPAC name

n/a

SMILES

CCC(C(Nc(cc1)cc(CN2CCc(cc3)cc(OC)c3OC)c1OC(C)C2=O)=O)c1ccccc1

InChI

InChI=1S/C30H34N2O5/c1-5-25(22-9-7-6-8-10-22)29(33)31-24-12-14-26-23(18-24)19-32(30(34)20(2)37-26)16-15-21-11-13-27(35-3)28(17-21)36-4/h6-14,17-18,20,25H,5,15-16,19H2,1-4H3,(H,31,33)

InChI Key

UGAMNHDOMAILCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19849090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.548

Distribution Coefficient, logD

4.548

Water Solubility, LogSw

-4.29

Polar Surface Area

62.911

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

V003-3866 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 V003-3866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3866?
Check Price and Availability of V003-3866, 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 V003-3866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3866
  • 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 V003-3866 available by request