S331-0353 Screening compound: 1H-pyrazol-3-yl{3-[1-(4-pyridylcarbonyl)-4-piperidyl]-1-pyrrolidinyl}methanone

S331-0353 Screening compound: 1H-pyrazol-3-yl{3-[1-(4-pyridylcarbonyl)-4-piperidyl]-1-pyrrolidinyl}methanone
S331-0353 Screening compound: 1H-pyrazol-3-yl{3-[1-(4-pyridylcarbonyl)-4-piperidyl]-1-pyrrolidinyl}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S331-0353
1H-pyrazol-3-yl{3-[1-(4-pyridylcarbonyl)-4-piperidyl]-1-pyrrolidinyl}methanone

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

S331-0353

Molecular Formula

C19H23N5O2 (C19 H23 N5 O2)

Compound Name

1H-pyrazol-3-yl{3-[1-(4-pyridylcarbonyl)-4-piperidyl]-1-pyrrolidinyl}methanone

IUPAC name

4-{4-[1-(1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]piperidine-1-carbonyl}pyridine

SMILES

O=C(c1n[nH]cc1)N(CC1)CC1C(CC1)CCN1C(c1ccncc1)=O

InChI

InChI=1S/C19H23N5O2/c25-18(15-1-7-20-8-2-15)23-10-4-14(5-11-23)16-6-12-24(13-16)19(26)17-3-9-21-22-17/h1-3,7-9,14,16H,4-6,10-13H2,(H,21,22)/t16-/m0/s1

InChI Key

ZQCCQFUKAHGWHU-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.42

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

0.555

Distribution Coefficient, logD

0.553

Water Solubility, LogSw

-0.92

Polar Surface Area

66.593

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

S331-0353 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S331-0353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S331-0353?
Check Price and Availability of S331-0353, 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 S331-0353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S331-0353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S331-0353
  • 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 S331-0353 available by request