S512-0484 Screening compound: 3-({1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl}oxy)pyridine

S512-0484 Screening compound: 3-({1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl}oxy)pyridine
S512-0484 Screening compound: 3-({1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl}oxy)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S512-0484
3-({1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]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

S512-0484

Molecular Formula

C20H22N2O3 (C20 H22 N2 O3)

Compound Name

3-({1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl}oxy)pyridine

IUPAC name

3-({1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl}oxy)pyridine

SMILES

COc1ccc(C2(CC2)C(N(CC2)CC2Oc2cnccc2)=O)cc1

InChI

InChI=1S/C20H22N2O3/c1-24-16-6-4-15(5-7-16)20(9-10-20)19(23)22-12-8-18(14-22)25-17-3-2-11-21-13-17/h2-7,11,13,18H,8-10,12,14H2,1H3/t18-/m1/s1

InChI Key

COVGKOOKFUFOLP-GOSISDBHSA-N

MDL Number (MFCD)

MFCD31974369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.316

Distribution Coefficient, logD

2.304

Water Solubility, LogSw

-1.84

Polar Surface Area

40.761

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

S512-0484 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 compounds)

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

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S512-0484 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S512-0484?
Check Price and Availability of S512-0484, 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 S512-0484 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S512-0484
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S512-0484
  • 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 S512-0484 available by request