S259-2402 Screening compound: N-[(3,5-DIMETHYL-4-ISOXAZOLYL)METHYL]-3-PIPERIDINECARBOXAMIDE

S259-2402 Screening compound: N-[(3,5-DIMETHYL-4-ISOXAZOLYL)METHYL]-3-PIPERIDINECARBOXAMIDE
S259-2402 Screening compound: N-[(3,5-DIMETHYL-4-ISOXAZOLYL)METHYL]-3-PIPERIDINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S259-2402
N-[(3,5-DIMETHYL-4-ISOXAZOLYL)METHYL]-3-PIPERIDINECARBOXAMIDE

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

S259-2402

Molecular Formula

C12H19N3O2 (C12 H19 N3 O2)

Compound Name

N-[(3,5-DIMETHYL-4-ISOXAZOLYL)METHYL]-3-PIPERIDINECARBOXAMIDE

IUPAC name

n/a

SMILES

Cc1noc(C)c1CNC(C1CNCCC1)=O

InChI

InChI=1S/C12H19N3O2/c1-8-11(9(2)17-15-8)7-14-12(16)10-4-3-5-13-6-10/h10,13H,3-7H2,1-2H3,(H,14,16)/t10-/m0/s1

InChI Key

QPAZZRGQOYUOMT-JTQLQIEISA-N

MDL Number (MFCD)

MFCD23273668

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

237.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.285

Distribution Coefficient, logD

-3.071

Water Solubility, LogSw

-0.53

Polar Surface Area

58.774

Acid Dissociation Constant (pKa)

13.32

Base Dissociation Constant (pKb)

10.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

S259-2402 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with S259-2402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S259-2402?
Check Price and Availability of S259-2402, 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 S259-2402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S259-2402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S259-2402
  • 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 S259-2402 available by request