P498-0409 Screening compound: N~5~-benzyl-3-(4-fluorophenyl)-5-isothiazolecarboxamide

P498-0409 Screening compound: N~5~-benzyl-3-(4-fluorophenyl)-5-isothiazolecarboxamide
P498-0409 Screening compound: N~5~-benzyl-3-(4-fluorophenyl)-5-isothiazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P498-0409
N~5~-benzyl-3-(4-fluorophenyl)-5-isothiazolecarboxamide

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

P498-0409

Molecular Formula

C17H13FN2OS (C17 H13 FN2 OS)

Compound Name

N~5~-benzyl-3-(4-fluorophenyl)-5-isothiazolecarboxamide

IUPAC name

N-benzyl-3-(4-fluorophenyl)-12-thiazole-5-carboxamide

SMILES

O=C(c1cc(-c(cc2)ccc2F)ns1)NCc1ccccc1

InChI

InChI=1S/C17H13FN2OS/c18-14-8-6-13(7-9-14)15-10-16(22-20-15)17(21)19-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,19,21)

InChI Key

IQMGCZMXQFVCQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27576573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.167

Distribution Coefficient, logD

4.167

Water Solubility, LogSw

-4.37

Polar Surface Area

34.872

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

-3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.88

P498-0409 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P498-0409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P498-0409?
Check Price and Availability of P498-0409, 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 P498-0409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P498-0409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P498-0409
  • 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 P498-0409 available by request