V003-4896 Screening compound: N~1~-[4-(4-chlorobenzyl)-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2,4-difluorobenzamide

V003-4896 Screening compound: N~1~-[4-(4-chlorobenzyl)-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2,4-difluorobenzamide
V003-4896 Screening compound: N~1~-[4-(4-chlorobenzyl)-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2,4-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4896
N~1~-[4-(4-chlorobenzyl)-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2,4-difluorobenzamide

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

V003-4896

Molecular Formula

C24H19ClF2N2O3 (C24 H19 ClF2 N2 O3)

Compound Name

N~1~-[4-(4-chlorobenzyl)-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2,4-difluorobenzamide

IUPAC name

N-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl}-24-difluorobenzamide

SMILES

CC(C(N(Cc(cc1)ccc1Cl)C1)=O)Oc(cc2)c1cc2NC(c(ccc(F)c1)c1F)=O

InChI

InChI=1S/C24H19ClF2N2O3/c1-14-24(31)29(12-15-2-4-17(25)5-3-15)13-16-10-19(7-9-22(16)32-14)28-23(30)20-8-6-18(26)11-21(20)27/h2-11,14H,12-13H2,1H3,(H,28,30)/t14-/m0/s1

InChI Key

XCBKGQFTELMUTP-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD19849614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.88

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

4.781

Distribution Coefficient, logD

4.769

Water Solubility, LogSw

-4.86

Polar Surface Area

47.672

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.67

V003-4896 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 V003-4896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4896?
Check Price and Availability of V003-4896, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V003-4896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4896
  • 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 V003-4896 available by request