V003-5605 Screening compound: 2,4-difluoro-N-[2-methyl-3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]benzamide

V003-5605 Screening compound: 2,4-difluoro-N-[2-methyl-3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]benzamide
V003-5605 Screening compound: 2,4-difluoro-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 V003-5605
2,4-difluoro-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

V003-5605

Molecular Formula

C27H24F2N2O3 (C27 H24 F2 N2 O3)

Compound Name

2,4-difluoro-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

24-difluoro-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(ccc(F)c1)c1F)=O

InChI

InChI=1S/C27H24F2N2O3/c1-16-27(33)31(24-8-4-6-17-5-2-3-7-21(17)24)15-18-13-20(10-12-25(18)34-16)30-26(32)22-11-9-19(28)14-23(22)29/h2-3,5,7,9-14,16,24H,4,6,8,15H2,1H3,(H,30,32)

InChI Key

KZDFZNWVDDRPQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19849175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.5

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

5.461

Distribution Coefficient, logD

5.448

Water Solubility, LogSw

-5.32

Polar Surface Area

46.253

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.90

V003-5605 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 V003-5605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-5605?
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What is the minimum amount of V003-5605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-5605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-5605
  • 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 V003-5605 available by request