S976-1406 Screening compound: 1-benzyl-3-fluoro-3-(pyrrolidine-1-carbonyl)piperidine

S976-1406 Screening compound: 1-benzyl-3-fluoro-3-(pyrrolidine-1-carbonyl)piperidine
S976-1406 Screening compound: 1-benzyl-3-fluoro-3-(pyrrolidine-1-carbonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S976-1406
1-benzyl-3-fluoro-3-(pyrrolidine-1-carbonyl)piperidine

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

S976-1406

Molecular Formula

C17H23FN2O (C17 H23 FN2 O)

Compound Name

1-benzyl-3-fluoro-3-(pyrrolidine-1-carbonyl)piperidine

IUPAC name

1-benzyl-3-fluoro-3-(pyrrolidine-1-carbonyl)piperidine

SMILES

O=C(C1(CN(Cc2ccccc2)CCC1)F)N1CCCC1

InChI

InChI=1S/C17H23FN2O/c18-17(16(21)20-11-4-5-12-20)9-6-10-19(14-17)13-15-7-2-1-3-8-15/h1-3,7-8H,4-6,9-14H2/t17-/m0/s1

InChI Key

FLGRIPLDHUVENT-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32232234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.382

Distribution Coefficient, logD

2.334

Water Solubility, LogSw

-2.43

Polar Surface Area

20.919

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

6.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

S976-1406 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with S976-1406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S976-1406?
Check Price and Availability of S976-1406, 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 S976-1406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S976-1406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S976-1406
  • 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 S976-1406 available by request