C226-3026 Screening compound: N~3~-(3-chloro-4-fluorophenyl)-5-propyl-3-isoxazolecarboxamide

C226-3026 Screening compound: N~3~-(3-chloro-4-fluorophenyl)-5-propyl-3-isoxazolecarboxamide
C226-3026 Screening compound: N~3~-(3-chloro-4-fluorophenyl)-5-propyl-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-3026
N~3~-(3-chloro-4-fluorophenyl)-5-propyl-3-isoxazolecarboxamide

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

C226-3026

Molecular Formula

C13H12ClFN2O2 (C13 H12 ClFN2 O2)

Compound Name

N~3~-(3-chloro-4-fluorophenyl)-5-propyl-3-isoxazolecarboxamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-5-propyl-12-oxazole-3-carboxamide

SMILES

CCCc1cc(C(Nc(cc2)cc(Cl)c2F)=O)no1

InChI

InChI=1S/C13H12ClFN2O2/c1-2-3-9-7-12(17-19-9)13(18)16-8-4-5-11(15)10(14)6-8/h4-7H,2-3H2,1H3,(H,16,18)

InChI Key

QKSUPEDMJUSVEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.7

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.149

Distribution Coefficient, logD

4.115

Water Solubility, LogSw

-4.44

Polar Surface Area

44.307

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

-3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

C226-3026 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C226-3026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-3026?
Check Price and Availability of C226-3026, 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 C226-3026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-3026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-3026
  • 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 C226-3026 available by request