V030-9091 Screening compound: 3-(2,5-difluorophenyl)-N-(2-furylmethyl)-N,2-dimethyltetrahydro-4-isoxazolesulfonamide

V030-9091 Screening compound: 3-(2,5-difluorophenyl)-N-(2-furylmethyl)-N,2-dimethyltetrahydro-4-isoxazolesulfonamide
V030-9091 Screening compound: 3-(2,5-difluorophenyl)-N-(2-furylmethyl)-N,2-dimethyltetrahydro-4-isoxazolesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-9091
3-(2,5-difluorophenyl)-N-(2-furylmethyl)-N,2-dimethyltetrahydro-4-isoxazolesulfonamide

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

V030-9091

Molecular Formula

C16H18F2N2O4S (C16 H18 F2 N2 O4 S)

Compound Name

3-(2,5-difluorophenyl)-N-(2-furylmethyl)-N,2-dimethyltetrahydro-4-isoxazolesulfonamide

IUPAC name

n/a

SMILES

CN(Cc1ccco1)S(C1C(c(cc(cc2)F)c2F)N(C)OC1)(=O)=O

InChI

InChI=1S/C16H18F2N2O4S/c1-19(9-12-4-3-7-23-12)25(21,22)15-10-24-20(2)16(15)13-8-11(17)5-6-14(13)18/h3-8,15-16H,9-10H2,1-2H3

InChI Key

IYLDNNLZKZPHHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19931523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.613

Distribution Coefficient, logD

2.613

Water Solubility, LogSw

-2.93

Polar Surface Area

55.902

Acid Dissociation Constant (pKa)

18.01

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

V030-9091 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V030-9091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-9091?
Check Price and Availability of V030-9091, 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 V030-9091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-9091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-9091
  • 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 V030-9091 available by request