V013-1481 Screening compound: N~1~-{[5-(4-fluorophenyl)-3-isoxazolyl]methyl}-N~1~-isobutyl-4-methyl-1-benzenesulfonamide

V013-1481 Screening compound: N~1~-{[5-(4-fluorophenyl)-3-isoxazolyl]methyl}-N~1~-isobutyl-4-methyl-1-benzenesulfonamide
V013-1481 Screening compound: N~1~-{[5-(4-fluorophenyl)-3-isoxazolyl]methyl}-N~1~-isobutyl-4-methyl-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-1481
N~1~-{[5-(4-fluorophenyl)-3-isoxazolyl]methyl}-N~1~-isobutyl-4-methyl-1-benzenesulfonamide

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

V013-1481

Molecular Formula

C21H23FN2O3S (C21 H23 FN2 O3 S)

Compound Name

N~1~-{[5-(4-fluorophenyl)-3-isoxazolyl]methyl}-N~1~-isobutyl-4-methyl-1-benzenesulfonamide

IUPAC name

N-{[5-(4-fluorophenyl)-12-oxazol-3-yl]methyl}-4-methyl-N-(2-methylpropyl)benzene-1-sulfonamide

SMILES

CC(C)CN(Cc1noc(-c(cc2)ccc2F)c1)S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C21H23FN2O3S/c1-15(2)13-24(28(25,26)20-10-4-16(3)5-11-20)14-19-12-21(27-23-19)17-6-8-18(22)9-7-17/h4-12,15H,13-14H2,1-3H3

InChI Key

MPVXDBAUGGENQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19978288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.374

Distribution Coefficient, logD

5.374

Water Solubility, LogSw

-5.47

Polar Surface Area

53.644

Acid Dissociation Constant (pKa)

25.31

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

V013-1481 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V013-1481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-1481?
Check Price and Availability of V013-1481, 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 V013-1481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-1481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-1481
  • 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 V013-1481 available by request