D399-0574 Screening compound: 2-(3-fluorophenyl)-1-methanesulfonylpyrrolidine

D399-0574 Screening compound: 2-(3-fluorophenyl)-1-methanesulfonylpyrrolidine
D399-0574 Screening compound: 2-(3-fluorophenyl)-1-methanesulfonylpyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-0574
2-(3-fluorophenyl)-1-methanesulfonylpyrrolidine

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

D399-0574

Molecular Formula

C11H14FNO2S (C11 H14 FNO2 S)

Compound Name

2-(3-fluorophenyl)-1-methanesulfonylpyrrolidine

IUPAC name

2-(3-fluorophenyl)-1-methanesulfonylpyrrolidine

SMILES

CS(N(CCC1)C1c1cc(F)ccc1)(=O)=O

InChI

InChI=1S/C11H14FNO2S/c1-16(14,15)13-7-3-6-11(13)9-4-2-5-10(12)8-9/h2,4-5,8,11H,3,6-7H2,1H3/t11-/m0/s1

InChI Key

XZVCCWWEVLLELD-NSHDSACASA-N

MDL Number (MFCD)

MFCD10702421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

243.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.762

Distribution Coefficient, logD

1.762

Water Solubility, LogSw

-2.39

Polar Surface Area

32.279

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

-6.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

D399-0574 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Hemic and lymphatic
  • Cardiovascular
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D399-0574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-0574?
Check Price and Availability of D399-0574, 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 D399-0574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-0574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-0574
  • 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 D399-0574 available by request