SA58-0969 Screening compound: 2-(2-{2-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidine-1-carbonyl)pyrimidine

SA58-0969 Screening compound: 2-(2-{2-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidine-1-carbonyl)pyrimidine
SA58-0969 Screening compound: 2-(2-{2-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidine-1-carbonyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA58-0969
2-(2-{2-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidine-1-carbonyl)pyrimidine

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

SA58-0969

Molecular Formula

C18H18N6O2 (C18 H18 N6 O2)

Compound Name

2-(2-{2-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidine-1-carbonyl)pyrimidine

IUPAC name

2-(2-{2-[5-(pyridin-2-yl)-124-oxadiazol-3-yl]ethyl}pyrrolidine-1-carbonyl)pyrimidine

SMILES

O=C(c1ncccn1)N1C(CCc2noc(-c3ncccc3)n2)CCC1

InChI

InChI=1S/C18H18N6O2/c25-18(16-20-10-4-11-21-16)24-12-3-5-13(24)7-8-15-22-17(26-23-15)14-6-1-2-9-19-14/h1-2,4,6,9-11,13H,3,5,7-8,12H2/t13-/m1/s1

InChI Key

FRAMINWSZUCFTG-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD31999251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.615

Distribution Coefficient, logD

0.615

Water Solubility, LogSw

-1.16

Polar Surface Area

77.778

Acid Dissociation Constant (pKa)

25.67

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

SA58-0969 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 SA58-0969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA58-0969?
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What is the minimum amount of SA58-0969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA58-0969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA58-0969
  • 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 SA58-0969 available by request