V017-3889 Screening compound: 3-fluoro-N-{4-[1-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-methylbenzene-1-sulfonamide

V017-3889 Screening compound: 3-fluoro-N-{4-[1-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-methylbenzene-1-sulfonamide
V017-3889 Screening compound: 3-fluoro-N-{4-[1-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-3889
3-fluoro-N-{4-[1-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-methylbenzene-1-sulfonamide

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

V017-3889

Molecular Formula

C24H22F2N2O4S (C24 H22 F2 N2 O4 S)

Compound Name

3-fluoro-N-{4-[1-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-methylbenzene-1-sulfonamide

IUPAC name

3-fluoro-N-{4-[1-(4-fluorophenyl)ethyl]-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl}-4-methylbenzene-1-sulfonamide

SMILES

CC(c(cc1)ccc1F)N(Cc(cc(cc1)NS(c2cc(F)c(C)cc2)(=O)=O)c1OC1)C1=O

InChI

InChI=1S/C24H22F2N2O4S/c1-15-3-9-21(12-22(15)26)33(30,31)27-20-8-10-23-18(11-20)13-28(24(29)14-32-23)16(2)17-4-6-19(25)7-5-17/h3-12,16,27H,13-14H2,1-2H3/t16-/m0/s1

InChI Key

LAIKITORIGKOEM-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19854696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.455

Distribution Coefficient, logD

4.414

Water Solubility, LogSw

-4.35

Polar Surface Area

65.733

Acid Dissociation Constant (pKa)

8.40

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

V017-3889 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 V017-3889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-3889?
Check Price and Availability of V017-3889, 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 V017-3889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-3889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-3889
  • 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 V017-3889 available by request