P498-0455 Screening compound: N~5~-(cyclopropylmethyl)-3-(4-fluorophenyl)-5-isothiazolecarboxamide

P498-0455 Screening compound: N~5~-(cyclopropylmethyl)-3-(4-fluorophenyl)-5-isothiazolecarboxamide
P498-0455 Screening compound: N~5~-(cyclopropylmethyl)-3-(4-fluorophenyl)-5-isothiazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P498-0455
N~5~-(cyclopropylmethyl)-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

P498-0455

Molecular Formula

C14H13FN2OS (C14 H13 FN2 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cc(-c(cc2)ccc2F)ns1)NCC1CC1

InChI

InChI=1S/C14H13FN2OS/c15-11-5-3-10(4-6-11)12-7-13(19-17-12)14(18)16-8-9-1-2-9/h3-7,9H,1-2,8H2,(H,16,18)

InChI Key

MHXXXMGNLINSJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27576586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.33

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

3.498

Distribution Coefficient, logD

3.498

Water Solubility, LogSw

-3.86

Polar Surface Area

35.395

Acid Dissociation Constant (pKa)

15.41

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

References: we are preparing a list of scientific research reports with P498-0455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P498-0455?
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What is the minimum amount of P498-0455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P498-0455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P498-0455
  • 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 P498-0455 available by request