V017-4520 Screening compound: 4-CYANO-N-{4-[2-(4-FLUOROPHENYL)ETHYL]-2-METHYL-3-OXO-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL}BENZAMIDE

V017-4520 Screening compound: 4-CYANO-N-{4-[2-(4-FLUOROPHENYL)ETHYL]-2-METHYL-3-OXO-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL}BENZAMIDE
V017-4520 Screening compound: 4-CYANO-N-{4-[2-(4-FLUOROPHENYL)ETHYL]-2-METHYL-3-OXO-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL}BENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-4520
4-CYANO-N-{4-[2-(4-FLUOROPHENYL)ETHYL]-2-METHYL-3-OXO-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

V017-4520

Molecular Formula

C26H22FN3O3 (C26 H22 FN3 O3)

Compound Name

4-CYANO-N-{4-[2-(4-FLUOROPHENYL)ETHYL]-2-METHYL-3-OXO-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL}BENZAMIDE

IUPAC name

n/a

SMILES

CC(C(N(CCc(cc1)ccc1F)C1)=O)Oc(cc2)c1cc2NC(c(cc1)ccc1C#N)=O

InChI

InChI=1S/C26H22FN3O3/c1-17-26(32)30(13-12-18-4-8-22(27)9-5-18)16-21-14-23(10-11-24(21)33-17)29-25(31)20-6-2-19(15-28)3-7-20/h2-11,14,17H,12-13,16H2,1H3,(H,29,31)/t17-/m0/s1

InChI Key

NUZZTYIHFZWVRM-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19854381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.848

Distribution Coefficient, logD

3.847

Water Solubility, LogSw

-4.09

Polar Surface Area

64.707

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

V017-4520 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PI3K-Targeted Library (17255 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Kinases
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V017-4520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-4520?
Check Price and Availability of V017-4520, 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 V017-4520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-4520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-4520
  • 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 V017-4520 available by request