S254-0965 Screening compound: 1-(4-fluoropyrrolidine-2-carbonyl)-2,3-dihydro-1H-indole

S254-0965 Screening compound: 1-(4-fluoropyrrolidine-2-carbonyl)-2,3-dihydro-1H-indole
S254-0965 Screening compound: 1-(4-fluoropyrrolidine-2-carbonyl)-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound S254-0965
1-(4-fluoropyrrolidine-2-carbonyl)-2,3-dihydro-1H-indole

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

S254-0965

Molecular Formula

C13H15FN2O (C13 H15 FN2 O)

Compound Name

1-(4-fluoropyrrolidine-2-carbonyl)-2,3-dihydro-1H-indole

IUPAC name

1-[(2S4S)-4-fluoropyrrolidine-2-carbonyl]-23-dihydro-1H-indole

SMILES

O=C([C@H](C1)NC[C@H]1F)N(CC1)c2c1cccc2

InChI

InChI=1S/C13H15FN2O/c14-10-7-11(15-8-10)13(17)16-6-5-9-3-1-2-4-12(9)16/h1-4,10-11,15H,5-8H2/t10-,11+/m0/s1

InChI Key

DKZRLIHKAJPVGS-WDEREUQCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

234.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

0.919

Distribution Coefficient, logD

0.913

Water Solubility, LogSw

-1.83

Polar Surface Area

28.519

Acid Dissociation Constant (pKa)

20.39

Base Dissociation Constant (pKb)

5.57

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.15

S254-0965 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Natural-Product-Based Library (3730 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Structure:
  • Pool
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S254-0965 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S254-0965?
Check Price and Availability of S254-0965, 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 S254-0965 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S254-0965
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S254-0965
  • 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 S254-0965 available by request