F180-0097 Screening compound: 4-(3,5-dimethyl-4-isoxazolyl)-N~1~-isopropyl-1-benzenesulfonamide

F180-0097 Screening compound: 4-(3,5-dimethyl-4-isoxazolyl)-N~1~-isopropyl-1-benzenesulfonamide
F180-0097 Screening compound: 4-(3,5-dimethyl-4-isoxazolyl)-N~1~-isopropyl-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F180-0097
4-(3,5-dimethyl-4-isoxazolyl)-N~1~-isopropyl-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

F180-0097

Molecular Formula

C14H18N2O3S (C14 H18 N2 O3 S)

Compound Name

4-(3,5-dimethyl-4-isoxazolyl)-N~1~-isopropyl-1-benzenesulfonamide

IUPAC name

4-(35-dimethyl-12-oxazol-4-yl)-N-(propan-2-yl)benzene-1-sulfonamide

SMILES

CC(C)NS(c(cc1)ccc1-c1c(C)onc1C)(=O)=O

InChI

InChI=1S/C14H18N2O3S/c1-9(2)16-20(17,18)13-7-5-12(6-8-13)14-10(3)15-19-11(14)4/h5-9,16H,1-4H3

InChI Key

SETAHFUVKJIDII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27107159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.665

Distribution Coefficient, logD

2.665

Water Solubility, LogSw

-3.13

Polar Surface Area

63.223

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.71

F180-0097 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F180-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F180-0097?
Check Price and Availability of F180-0097, 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 F180-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F180-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F180-0097
  • 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 F180-0097 available by request