S069-4128 Screening compound: N-cyclohexyl-3-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide

S069-4128 Screening compound: N-cyclohexyl-3-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide
S069-4128 Screening compound: N-cyclohexyl-3-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S069-4128
N-cyclohexyl-3-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]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

S069-4128

Molecular Formula

C18H23N5O2 (C18 H23 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(NC1CCCCC1)N(CC1)CC1c1noc(-c2ncccc2)n1

InChI

InChI=1S/C18H23N5O2/c24-18(20-14-6-2-1-3-7-14)23-11-9-13(12-23)16-21-17(25-22-16)15-8-4-5-10-19-15/h4-5,8,10,13-14H,1-3,6-7,9,11-12H2,(H,20,24)/t13-/m1/s1

InChI Key

POEIVJQNBYTKCE-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD29007584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.091

Distribution Coefficient, logD

3.091

Water Solubility, LogSw

-3.05

Polar Surface Area

67.508

Acid Dissociation Constant (pKa)

16.89

Base Dissociation Constant (pKb)

3.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

S069-4128 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with S069-4128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S069-4128?
Check Price and Availability of S069-4128, 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 S069-4128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S069-4128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S069-4128
  • 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 S069-4128 available by request