V016-8386 Screening compound: N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(3-methoxyphenyl)acetamide

V016-8386 Screening compound: N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(3-methoxyphenyl)acetamide
V016-8386 Screening compound: N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(3-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8386
N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(3-methoxyphenyl)acetamide

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

V016-8386

Molecular Formula

C27H28N2O6 (C27 H28 N2 O6)

Compound Name

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

IUPAC name

N-{4-[(23-dimethoxyphenyl)methyl]-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl}-2-(3-methoxyphenyl)acetamide

SMILES

COc1cccc(CC(Nc(cc2)cc(CN3Cc(cccc4OC)c4OC)c2OCC3=O)=O)c1

InChI

InChI=1S/C27H28N2O6/c1-32-22-8-4-6-18(12-22)13-25(30)28-21-10-11-23-20(14-21)16-29(26(31)17-35-23)15-19-7-5-9-24(33-2)27(19)34-3/h4-12,14H,13,15-17H2,1-3H3,(H,28,30)

InChI Key

JOBCGOKMXBTDIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19854568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.53

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

3.269

Distribution Coefficient, logD

3.269

Water Solubility, LogSw

-3.41

Polar Surface Area

71.346

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

V016-8386 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 V016-8386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8386?
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What is the minimum amount of V016-8386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8386
  • 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 V016-8386 available by request