S594-1262 Screening compound: 1-(4-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)-4-(3-methyl-1H-indazol-1-yl)butane-1,4-dione

S594-1262 Screening compound: 1-(4-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)-4-(3-methyl-1H-indazol-1-yl)butane-1,4-dione
S594-1262 Screening compound: 1-(4-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)-4-(3-methyl-1H-indazol-1-yl)butane-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S594-1262
1-(4-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)-4-(3-methyl-1H-indazol-1-yl)butane-1,4-dione

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

S594-1262

Molecular Formula

C26H26FN5O4 (C26 H26 FN5 O4)

Compound Name

1-(4-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)-4-(3-methyl-1H-indazol-1-yl)butane-1,4-dione

IUPAC name

1-(4-{5-[(4-fluorophenoxy)methyl]-124-oxadiazol-3-yl}piperidin-1-yl)-4-(3-methyl-1H-indazol-1-yl)butane-14-dione

SMILES

Cc1nn(C(CCC(N(CC2)CCC2c2noc(COc(cc3)ccc3F)n2)=O)=O)c2c1cccc2

InChI

InChI=1S/C26H26FN5O4/c1-17-21-4-2-3-5-22(21)32(29-17)25(34)11-10-24(33)31-14-12-18(13-15-31)26-28-23(36-30-26)16-35-20-8-6-19(27)7-9-20/h2-9,18H,10-16H2,1H3

InChI Key

KVXIZLRNCNUEMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31962783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.788

Distribution Coefficient, logD

2.788

Water Solubility, LogSw

-2.98

Polar Surface Area

81.791

Acid Dissociation Constant (pKa)

14.83

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.62

S594-1262 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S594-1262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S594-1262?
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What is the minimum amount of S594-1262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S594-1262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S594-1262
  • 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 S594-1262 available by request