S259-0494 Screening compound: {4-[(3,5-dimethyl-4-isoxazolyl)methyl]piperazino}(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

S259-0494 Screening compound: {4-[(3,5-dimethyl-4-isoxazolyl)methyl]piperazino}(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
S259-0494 Screening compound: {4-[(3,5-dimethyl-4-isoxazolyl)methyl]piperazino}(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S259-0494
{4-[(3,5-dimethyl-4-isoxazolyl)methyl]piperazino}(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

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

S259-0494

Molecular Formula

C18H25N5O2 (C18 H25 N5 O2)

Compound Name

{4-[(3,5-dimethyl-4-isoxazolyl)methyl]piperazino}(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

IUPAC name

3-{4-[(35-dimethyl-12-oxazol-4-yl)methyl]piperazine-1-carbonyl}-4567-tetrahydro-1H-indazole

SMILES

Cc1noc(C)c1CN(CC1)CCN1C(c1n[nH]c2c1CCCC2)=O

InChI

InChI=1S/C18H25N5O2/c1-12-15(13(2)25-21-12)11-22-7-9-23(10-8-22)18(24)17-14-5-3-4-6-16(14)19-20-17/h3-11H2,1-2H3,(H,19,20)

InChI Key

QYZKSKOMDXODTI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.290

Distribution Coefficient, logD

0.917

Water Solubility, LogSw

-1.46

Polar Surface Area

67.419

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.11

S259-0494 in Drug Discovery

Included in Screening Libraries

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

Bcl2-PPI Inhibitors Library (12246 compounds)

GPCR Targeted Library (31838 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with S259-0494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S259-0494?
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What is the minimum amount of S259-0494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S259-0494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S259-0494
  • 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 S259-0494 available by request