S594-0252 Screening compound: 2-(4-{5-[(benzyloxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carbonyl)-5-methylpyrazine

S594-0252 Screening compound: 2-(4-{5-[(benzyloxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carbonyl)-5-methylpyrazine
S594-0252 Screening compound: 2-(4-{5-[(benzyloxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carbonyl)-5-methylpyrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound S594-0252
2-(4-{5-[(benzyloxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carbonyl)-5-methylpyrazine

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

S594-0252

Molecular Formula

C21H23N5O3 (C21 H23 N5 O3)

Compound Name

2-(4-{5-[(benzyloxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carbonyl)-5-methylpyrazine

IUPAC name

2-(4-{5-[(benzyloxy)methyl]-124-oxadiazol-3-yl}piperidine-1-carbonyl)-5-methylpyrazine

SMILES

Cc(nc1)cnc1C(N(CC1)CCC1c1noc(COCc2ccccc2)n1)=O

InChI

InChI=1S/C21H23N5O3/c1-15-11-23-18(12-22-15)21(27)26-9-7-17(8-10-26)20-24-19(29-25-20)14-28-13-16-5-3-2-4-6-16/h2-6,11-12,17H,7-10,13-14H2,1H3

InChI Key

UHSLEFCWWBYCEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31962940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.272

Distribution Coefficient, logD

2.272

Water Solubility, LogSw

-2.24

Polar Surface Area

74.474

Acid Dissociation Constant (pKa)

26.48

Base Dissociation Constant (pKb)

0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

S594-0252 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S594-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S594-0252?
Check Price and Availability of S594-0252, 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 S594-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S594-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S594-0252
  • 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 S594-0252 available by request