V018-3564 Screening compound: 2,4-difluoro-N-{4-[1-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide

V018-3564 Screening compound: 2,4-difluoro-N-{4-[1-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide
V018-3564 Screening compound: 2,4-difluoro-N-{4-[1-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-3564
2,4-difluoro-N-{4-[1-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide

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

V018-3564

Molecular Formula

C24H19F3N2O3 (C24 H19 F3 N2 O3)

Compound Name

2,4-difluoro-N-{4-[1-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide

IUPAC name

24-difluoro-N-{4-[1-(4-fluorophenyl)ethyl]-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl}benzamide

SMILES

CC(c(cc1)ccc1F)N(Cc(cc(cc1)NC(c(ccc(F)c2)c2F)=O)c1OC1)C1=O

InChI

InChI=1S/C24H19F3N2O3/c1-14(15-2-4-17(25)5-3-15)29-12-16-10-19(7-9-22(16)32-13-23(29)30)28-24(31)20-8-6-18(26)11-21(20)27/h2-11,14H,12-13H2,1H3,(H,28,31)/t14-/m0/s1

InChI Key

DBJLMLFSHMOWFL-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD19854510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.42

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

4.287

Distribution Coefficient, logD

4.274

Water Solubility, LogSw

-4.36

Polar Surface Area

48.175

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.67

V018-3564 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 V018-3564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-3564?
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What is the minimum amount of V018-3564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-3564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-3564
  • 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 V018-3564 available by request