V020-6797 Screening compound: N-{4-[(4-chlorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3-fluorobenzamide

V020-6797 Screening compound: N-{4-[(4-chlorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3-fluorobenzamide
V020-6797 Screening compound: N-{4-[(4-chlorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-6797
N-{4-[(4-chlorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3-fluorobenzamide

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

V020-6797

Molecular Formula

C23H18ClFN2O3 (C23 H18 ClFN2 O3)

Compound Name

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

IUPAC name

N-{4-[(4-chlorophenyl)methyl]-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl}-3-fluorobenzamide

SMILES

O=C(c1cc(F)ccc1)Nc(cc1)cc(CN2Cc(cc3)ccc3Cl)c1OCC2=O

InChI

InChI=1S/C23H18ClFN2O3/c24-18-6-4-15(5-7-18)12-27-13-17-11-20(8-9-21(17)30-14-22(27)28)26-23(29)16-2-1-3-19(25)10-16/h1-11H,12-14H2,(H,26,29)

InChI Key

AXSYUWNDINRDBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19849892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.839

Distribution Coefficient, logD

3.838

Water Solubility, LogSw

-4.52

Polar Surface Area

48.668

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.04

V020-6797 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 V020-6797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-6797?
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What is the minimum amount of V020-6797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-6797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-6797
  • 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 V020-6797 available by request