V003-5592 Screening compound: 2,4-difluoro-N~1~-[3-oxo-4-(1,2,3,4-tetrahydro-1-naphthalenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]benzamide

V003-5592 Screening compound: 2,4-difluoro-N~1~-[3-oxo-4-(1,2,3,4-tetrahydro-1-naphthalenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]benzamide
V003-5592 Screening compound: 2,4-difluoro-N~1~-[3-oxo-4-(1,2,3,4-tetrahydro-1-naphthalenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-5592
2,4-difluoro-N~1~-[3-oxo-4-(1,2,3,4-tetrahydro-1-naphthalenyl)-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

V003-5592

Molecular Formula

C26H22F2N2O3 (C26 H22 F2 N2 O3)

Compound Name

2,4-difluoro-N~1~-[3-oxo-4-(1,2,3,4-tetrahydro-1-naphthalenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]benzamide

IUPAC name

24-difluoro-N-[3-oxo-4-(1234-tetrahydronaphthalen-1-yl)-2345-tetrahydro-14-benzoxazepin-7-yl]benzamide

SMILES

O=C(c(ccc(F)c1)c1F)Nc(cc1)cc(CN2C(CCC3)c4c3cccc4)c1OCC2=O

InChI

InChI=1S/C26H22F2N2O3/c27-18-8-10-21(22(28)13-18)26(32)29-19-9-11-24-17(12-19)14-30(25(31)15-33-24)23-7-3-5-16-4-1-2-6-20(16)23/h1-2,4,6,8-13,23H,3,5,7,14-15H2,(H,29,32)/t23-/m0/s1

InChI Key

NXYVMMCQJKEANV-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19849732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.836

Distribution Coefficient, logD

4.824

Water Solubility, LogSw

-4.82

Polar Surface Area

47.249

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.08

V003-5592 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 V003-5592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-5592?
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What is the minimum amount of V003-5592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-5592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-5592
  • 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 V003-5592 available by request