V018-1224 Screening compound: N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide

V018-1224 Screening compound: N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide
V018-1224 Screening compound: N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-1224
N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide

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

V018-1224

Molecular Formula

C26H23F3N2O4 (C26 H23 F3 N2 O4)

Compound Name

N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide

IUPAC name

N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2345-tetrahydro-14-benzoxazepin-7-yl)-2-phenoxyacetamide

SMILES

CC(C(N(Cc1cccc(C(F)(F)F)c1)C1)=O)Oc(cc2)c1cc2NC(COc1ccccc1)=O

InChI

InChI=1S/C26H23F3N2O4/c1-17-25(33)31(14-18-6-5-7-20(12-18)26(27,28)29)15-19-13-21(10-11-23(19)35-17)30-24(32)16-34-22-8-3-2-4-9-22/h2-13,17H,14-16H2,1H3,(H,30,32)/t17-/m0/s1

InChI Key

KODSLIICVOUOFG-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19849037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.645

Distribution Coefficient, logD

4.645

Water Solubility, LogSw

-4.48

Polar Surface Area

54.958

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

5.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

V018-1224 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 V018-1224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-1224?
Check Price and Availability of V018-1224, 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 V018-1224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-1224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-1224
  • 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 V018-1224 available by request