S259-3120 Screening compound: 4-CHLORO-1-ETHYL-N-{[5-(4-FLUOROPHENYL)-4-ISOXAZOLYL]METHYL}-1H-PYRAZOLE-3-CARBOXAMIDE

S259-3120 Screening compound: 4-CHLORO-1-ETHYL-N-{[5-(4-FLUOROPHENYL)-4-ISOXAZOLYL]METHYL}-1H-PYRAZOLE-3-CARBOXAMIDE
S259-3120 Screening compound: 4-CHLORO-1-ETHYL-N-{[5-(4-FLUOROPHENYL)-4-ISOXAZOLYL]METHYL}-1H-PYRAZOLE-3-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S259-3120
4-CHLORO-1-ETHYL-N-{[5-(4-FLUOROPHENYL)-4-ISOXAZOLYL]METHYL}-1H-PYRAZOLE-3-CARBOXAMIDE

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

S259-3120

Molecular Formula

C16H14ClFN4O2 (C16 H14 ClFN4 O2)

Compound Name

4-CHLORO-1-ETHYL-N-{[5-(4-FLUOROPHENYL)-4-ISOXAZOLYL]METHYL}-1H-PYRAZOLE-3-CARBOXAMIDE

IUPAC name

n/a

SMILES

CCn1nc(C(NCc2c(-c(cc3)ccc3F)onc2)=O)c(Cl)c1

InChI

InChI=1S/C16H14ClFN4O2/c1-2-22-9-13(17)14(21-22)16(23)19-7-11-8-20-24-15(11)10-3-5-12(18)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,19,23)

InChI Key

IEHCHCSAAWKRFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28995699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.429

Distribution Coefficient, logD

2.429

Water Solubility, LogSw

-3.40

Polar Surface Area

61.892

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

S259-3120 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Bromodomain Modulators Library (5801 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S259-3120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S259-3120?
Check Price and Availability of S259-3120, 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 S259-3120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S259-3120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S259-3120
  • 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 S259-3120 available by request