V021-7100 Screening compound: 3-(3-CHLORO-4-FLUOROPHENYL)-N-(4-FLUOROBENZYL)-2-METHYLTETRAHYDRO-4-ISOXAZOLESULFONAMIDE

V021-7100 Screening compound: 3-(3-CHLORO-4-FLUOROPHENYL)-N-(4-FLUOROBENZYL)-2-METHYLTETRAHYDRO-4-ISOXAZOLESULFONAMIDE
V021-7100 Screening compound: 3-(3-CHLORO-4-FLUOROPHENYL)-N-(4-FLUOROBENZYL)-2-METHYLTETRAHYDRO-4-ISOXAZOLESULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-7100
3-(3-CHLORO-4-FLUOROPHENYL)-N-(4-FLUOROBENZYL)-2-METHYLTETRAHYDRO-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

V021-7100

Molecular Formula

C17H17ClF2N2O3S (C17 H17 ClF2 N2 O3 S)

Compound Name

3-(3-CHLORO-4-FLUOROPHENYL)-N-(4-FLUOROBENZYL)-2-METHYLTETRAHYDRO-4-ISOXAZOLESULFONAMIDE

IUPAC name

3-(3-chloro-4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-12-oxazolidine-4-sulfonamide

SMILES

CN(C1c(cc2)cc(Cl)c2F)OCC1S(NCc(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C17H17ClF2N2O3S/c1-22-17(12-4-7-15(20)14(18)8-12)16(10-25-22)26(23,24)21-9-11-2-5-13(19)6-3-11/h2-8,16-17,21H,9-10H2,1H3

InChI Key

OJIPZDVACIWITG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19931533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.519

Distribution Coefficient, logD

3.519

Water Solubility, LogSw

-3.98

Polar Surface Area

57.347

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.41

V021-7100 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 V021-7100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-7100?
Check Price and Availability of V021-7100, 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 V021-7100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-7100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-7100
  • 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 V021-7100 available by request