V016-8407 Screening compound: N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(4-fluorophenyl)acetamide

V016-8407 Screening compound: N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(4-fluorophenyl)acetamide
V016-8407 Screening compound: N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8407
N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(4-fluorophenyl)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

V016-8407

Molecular Formula

C26H25FN2O5 (C26 H25 FN2 O5)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(CN(Cc(cc(cc2)NC(Cc(cc3)ccc3F)=O)c2OC2)C2=O)c1OC

InChI

InChI=1S/C26H25FN2O5/c1-32-23-5-3-4-18(26(23)33-2)14-29-15-19-13-21(10-11-22(19)34-16-25(29)31)28-24(30)12-17-6-8-20(27)9-7-17/h3-11,13H,12,14-16H2,1-2H3,(H,28,30)

InChI Key

GDQWNGWYYNKUCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19854542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.197

Distribution Coefficient, logD

3.197

Water Solubility, LogSw

-3.35

Polar Surface Area

63.802

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

4.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

V016-8407 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 V016-8407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8407?
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What is the minimum amount of V016-8407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8407
  • 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 V016-8407 available by request