SA58-0252 Screening compound: N-cyclohexyl-2-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidine-1-carboxamide

SA58-0252 Screening compound: N-cyclohexyl-2-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidine-1-carboxamide
SA58-0252 Screening compound: N-cyclohexyl-2-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA58-0252
N-cyclohexyl-2-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidine-1-carboxamide

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

SA58-0252

Molecular Formula

C20H27N5O2 (C20 H27 N5 O2)

Compound Name

N-cyclohexyl-2-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidine-1-carboxamide

IUPAC name

N-cyclohexyl-2-{2-[5-(pyridin-3-yl)-124-oxadiazol-3-yl]ethyl}pyrrolidine-1-carboxamide

SMILES

O=C(NC1CCCCC1)N1C(CCc2noc(-c3cnccc3)n2)CCC1

InChI

InChI=1S/C20H27N5O2/c26-20(22-16-7-2-1-3-8-16)25-13-5-9-17(25)10-11-18-23-19(27-24-18)15-6-4-12-21-14-15/h4,6,12,14,16-17H,1-3,5,7-11,13H2,(H,22,26)/t17-/m1/s1

InChI Key

CCAXSHKCUKMELQ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32000003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.122

Distribution Coefficient, logD

3.028

Water Solubility, LogSw

-3.04

Polar Surface Area

68.681

Acid Dissociation Constant (pKa)

17.43

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

SA58-0252 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA58-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA58-0252?
Check Price and Availability of SA58-0252, 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 SA58-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA58-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA58-0252
  • 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 SA58-0252 available by request