SA58-0848 Screening compound: 2-(1H-pyrazol-1-yl)-1-(2-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidin-1-yl)ethan-1-one

SA58-0848 Screening compound: 2-(1H-pyrazol-1-yl)-1-(2-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidin-1-yl)ethan-1-one
SA58-0848 Screening compound: 2-(1H-pyrazol-1-yl)-1-(2-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA58-0848
2-(1H-pyrazol-1-yl)-1-(2-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidin-1-yl)ethan-1-one

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

SA58-0848

Molecular Formula

C18H20N6O2 (C18 H20 N6 O2)

Compound Name

2-(1H-pyrazol-1-yl)-1-(2-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidin-1-yl)ethan-1-one

IUPAC name

2-(1H-pyrazol-1-yl)-1-(2-{2-[5-(pyridin-4-yl)-124-oxadiazol-3-yl]ethyl}pyrrolidin-1-yl)ethan-1-one

SMILES

O=C(Cn1nccc1)N1C(CCc2noc(-c3ccncc3)n2)CCC1

InChI

InChI=1S/C18H20N6O2/c25-17(13-23-11-2-8-20-23)24-12-1-3-15(24)4-5-16-21-18(26-22-16)14-6-9-19-10-7-14/h2,6-11,15H,1,3-5,12-13H2/t15-/m1/s1

InChI Key

HCFYWSVEDGIIAJ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32000647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.818

Distribution Coefficient, logD

0.817

Water Solubility, LogSw

-1.01

Polar Surface Area

72.991

Acid Dissociation Constant (pKa)

25.86

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.89

SA58-0848 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA58-0848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA58-0848?
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What is the minimum amount of SA58-0848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA58-0848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA58-0848
  • 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 SA58-0848 available by request