V003-3854 Screening compound: N-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,4-dimethoxybenzamide

V003-3854 Screening compound: N-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,4-dimethoxybenzamide
V003-3854 Screening compound: N-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-3854
N-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,4-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

V003-3854

Molecular Formula

C29H32N2O7 (C29 H32 N2 O7)

Compound Name

N-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,4-dimethoxybenzamide

IUPAC name

N-{4-[2-(34-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl}-34-dimethoxybenzamide

SMILES

CC(C(N(CCc(cc1)cc(OC)c1OC)C1)=O)Oc(cc2)c1cc2NC(c(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C29H32N2O7/c1-18-29(33)31(13-12-19-6-9-24(34-2)26(14-19)36-4)17-21-15-22(8-11-23(21)38-18)30-28(32)20-7-10-25(35-3)27(16-20)37-5/h6-11,14-16,18H,12-13,17H2,1-5H3,(H,30,32)/t18-/m0/s1

InChI Key

DPHZWYIJNZPIAJ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19849089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.306

Distribution Coefficient, logD

3.305

Water Solubility, LogSw

-3.49

Polar Surface Area

78.172

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

References: we are preparing a list of scientific research reports with V003-3854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3854?
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What is the minimum amount of V003-3854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3854
  • 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 V003-3854 available by request