S259-2456 Screening compound: N~1~-[(3,5-dimethyl-4-isoxazolyl)methyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide

S259-2456 Screening compound: N~1~-[(3,5-dimethyl-4-isoxazolyl)methyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
S259-2456 Screening compound: N~1~-[(3,5-dimethyl-4-isoxazolyl)methyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S259-2456
N~1~-[(3,5-dimethyl-4-isoxazolyl)methyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide

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

S259-2456

Molecular Formula

C15H22N4O2 (C15 H22 N4 O2)

Compound Name

N~1~-[(3,5-dimethyl-4-isoxazolyl)methyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide

IUPAC name

N-[(35-dimethyl-12-oxazol-4-yl)methyl]-3-(135-trimethyl-1H-pyrazol-4-yl)propanamide

SMILES

Cc1c(CCC(NCc2c(C)onc2C)=O)c(C)nn1C

InChI

InChI=1S/C15H22N4O2/c1-9-13(11(3)19(5)17-9)6-7-15(20)16-8-14-10(2)18-21-12(14)4/h6-8H2,1-5H3,(H,16,20)

InChI Key

QXHPRALYLVVZHP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.37

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

0.752

Distribution Coefficient, logD

0.752

Water Solubility, LogSw

-0.71

Polar Surface Area

61.316

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.33

S259-2456 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with S259-2456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S259-2456?
Check Price and Availability of S259-2456, 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 S259-2456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S259-2456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S259-2456
  • 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 S259-2456 available by request