S512-0287 Screening compound: 1-[3-(3-fluorophenoxy)pyrrolidin-1-yl]-2-methoxyethan-1-one

S512-0287 Screening compound: 1-[3-(3-fluorophenoxy)pyrrolidin-1-yl]-2-methoxyethan-1-one
S512-0287 Screening compound: 1-[3-(3-fluorophenoxy)pyrrolidin-1-yl]-2-methoxyethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S512-0287
1-[3-(3-fluorophenoxy)pyrrolidin-1-yl]-2-methoxyethan-1-one

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

S512-0287

Molecular Formula

C13H16FNO3 (C13 H16 FNO3)

Compound Name

1-[3-(3-fluorophenoxy)pyrrolidin-1-yl]-2-methoxyethan-1-one

IUPAC name

1-[3-(3-fluorophenoxy)pyrrolidin-1-yl]-2-methoxyethan-1-one

SMILES

COCC(N(CC1)CC1Oc1cccc(F)c1)=O

InChI

InChI=1S/C13H16FNO3/c1-17-9-13(16)15-6-5-12(8-15)18-11-4-2-3-10(14)7-11/h2-4,7,12H,5-6,8-9H2,1H3/t12-/m0/s1

InChI Key

SRBQHRPHUVRFCW-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD32224679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

253.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.162

Distribution Coefficient, logD

1.162

Water Solubility, LogSw

-1.82

Polar Surface Area

31.616

Acid Dissociation Constant (pKa)

22.40

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.15

S512-0287 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with S512-0287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S512-0287?
Check Price and Availability of S512-0287, 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 S512-0287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S512-0287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S512-0287
  • 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 S512-0287 available by request