S512-0488 Screening compound: 3-({1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}oxy)pyridine

S512-0488 Screening compound: 3-({1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}oxy)pyridine
S512-0488 Screening compound: 3-({1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}oxy)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S512-0488
3-({1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}oxy)pyridine

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

S512-0488

Molecular Formula

C19H17FN4O2 (C19 H17 FN4 O2)

Compound Name

3-({1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}oxy)pyridine

IUPAC name

3-({1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}oxy)pyridine

SMILES

O=C(c1cc(-c(cc2)ccc2F)n[nH]1)N(CC1)CC1Oc1cnccc1

InChI

InChI=1S/C19H17FN4O2/c20-14-5-3-13(4-6-14)17-10-18(23-22-17)19(25)24-9-7-16(12-24)26-15-2-1-8-21-11-15/h1-6,8,10-11,16H,7,9,12H2,(H,22,23)/t16-/m1/s1

InChI Key

USVODHBBIFXLPQ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32224728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.739

Distribution Coefficient, logD

2.726

Water Solubility, LogSw

-2.93

Polar Surface Area

55.455

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.05

S512-0488 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S512-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S512-0488?
Check Price and Availability of S512-0488, 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 S512-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S512-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S512-0488
  • 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 S512-0488 available by request