V003-5604 Screening compound: 4-fluoro-N-[2-methyl-3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]benzamide

V003-5604 Screening compound: 4-fluoro-N-[2-methyl-3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]benzamide
V003-5604 Screening compound: 4-fluoro-N-[2-methyl-3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-5604
4-fluoro-N-[2-methyl-3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-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

V003-5604

Molecular Formula

C27H25FN2O3 (C27 H25 FN2 O3)

Compound Name

4-fluoro-N-[2-methyl-3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]benzamide

IUPAC name

4-fluoro-N-[2-methyl-3-oxo-4-(1234-tetrahydronaphthalen-1-yl)-2345-tetrahydro-14-benzoxazepin-7-yl]benzamide

SMILES

CC(C(N(C1)C(CCC2)c3c2cccc3)=O)Oc(cc2)c1cc2NC(c(cc1)ccc1F)=O

InChI

InChI=1S/C27H25FN2O3/c1-17-27(32)30(24-8-4-6-18-5-2-3-7-23(18)24)16-20-15-22(13-14-25(20)33-17)29-26(31)19-9-11-21(28)12-10-19/h2-3,5,7,9-15,17,24H,4,6,8,16H2,1H3,(H,29,31)

InChI Key

ASNKDXYBRIEJPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19849162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.51

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

5.186

Distribution Coefficient, logD

5.184

Water Solubility, LogSw

-5.03

Polar Surface Area

46.253

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.90

V003-5604 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 V003-5604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-5604?
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What is the minimum amount of V003-5604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-5604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-5604
  • 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 V003-5604 available by request