S069-3152 Screening compound: 2-{3-[1-(1-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl}pyrazine

S069-3152 Screening compound: 2-{3-[1-(1-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl}pyrazine
S069-3152 Screening compound: 2-{3-[1-(1-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl}pyrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound S069-3152
2-{3-[1-(1-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl}pyrazine

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

S069-3152

Molecular Formula

C16H17N7O2 (C16 H17 N7 O2)

Compound Name

2-{3-[1-(1-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl}pyrazine

IUPAC name

2-{3-[1-(1-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-124-oxadiazol-5-yl}pyrazine

SMILES

CCn(cc1)nc1C(N(CC1)CC1c1noc(-c2nccnc2)n1)=O

InChI

InChI=1S/C16H17N7O2/c1-2-23-8-4-12(20-23)16(24)22-7-3-11(10-22)14-19-15(25-21-14)13-9-17-5-6-18-13/h4-6,8-9,11H,2-3,7,10H2,1H3/t11-/m1/s1

InChI Key

JNOXFFXMNPLERL-LLVKDONJSA-N

MDL Number (MFCD)

MFCD28995532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.520

Distribution Coefficient, logD

0.520

Water Solubility, LogSw

-0.86

Polar Surface Area

81.543

Acid Dissociation Constant (pKa)

26.53

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

S069-3152 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S069-3152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S069-3152?
Check Price and Availability of S069-3152, 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 S069-3152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S069-3152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S069-3152
  • 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 S069-3152 available by request