S512-0167 Screening compound: 1-(furan-2-carbonyl)-3-phenoxypyrrolidine

S512-0167 Screening compound: 1-(furan-2-carbonyl)-3-phenoxypyrrolidine
S512-0167 Screening compound: 1-(furan-2-carbonyl)-3-phenoxypyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S512-0167
1-(furan-2-carbonyl)-3-phenoxypyrrolidine

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

S512-0167

Molecular Formula

C15H15NO3 (C15 H15 NO3)

Compound Name

1-(furan-2-carbonyl)-3-phenoxypyrrolidine

IUPAC name

1-(furan-2-carbonyl)-3-phenoxypyrrolidine

SMILES

O=C(c1ccco1)N(CC1)CC1Oc1ccccc1

InChI

InChI=1S/C15H15NO3/c17-15(14-7-4-10-18-14)16-9-8-13(11-16)19-12-5-2-1-3-6-12/h1-7,10,13H,8-9,11H2/t13-/m1/s1

InChI Key

YHANZIZMMZELKH-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD32224649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.297

Distribution Coefficient, logD

2.297

Water Solubility, LogSw

-2.30

Polar Surface Area

32.026

Acid Dissociation Constant (pKa)

27.70

Base Dissociation Constant (pKb)

-3.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.67

S512-0167 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Anti-Inflammatory Library (24602 compounds)

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Immune system
  • Cardiovascular
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S512-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S512-0167?
Check Price and Availability of S512-0167, 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 S512-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S512-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S512-0167
  • 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 S512-0167 available by request