T502-0557 Screening compound: 4-[4-fluoro-1-(3-fluorobenzenesulfonyl)piperidine-4-carbonyl]morpholine

T502-0557 Screening compound: 4-[4-fluoro-1-(3-fluorobenzenesulfonyl)piperidine-4-carbonyl]morpholine
T502-0557 Screening compound: 4-[4-fluoro-1-(3-fluorobenzenesulfonyl)piperidine-4-carbonyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound T502-0557
4-[4-fluoro-1-(3-fluorobenzenesulfonyl)piperidine-4-carbonyl]morpholine

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

T502-0557

Molecular Formula

C16H20F2N2O4S (C16 H20 F2 N2 O4 S)

Compound Name

4-[4-fluoro-1-(3-fluorobenzenesulfonyl)piperidine-4-carbonyl]morpholine

IUPAC name

4-[4-fluoro-1-(3-fluorobenzenesulfonyl)piperidine-4-carbonyl]morpholine

SMILES

O=C(C(CC1)(CCN1S(c1cc(F)ccc1)(=O)=O)F)N1CCOCC1

InChI

InChI=1S/C16H20F2N2O4S/c17-13-2-1-3-14(12-13)25(22,23)20-6-4-16(18,5-7-20)15(21)19-8-10-24-11-9-19/h1-3,12H,4-11H2

InChI Key

XFSFZWOJJLEBBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32261998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.555

Distribution Coefficient, logD

1.555

Water Solubility, LogSw

-2.36

Polar Surface Area

56.506

Acid Dissociation Constant (pKa)

27.58

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.25

T502-0557 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with T502-0557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T502-0557?
Check Price and Availability of T502-0557, 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 T502-0557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T502-0557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T502-0557
  • 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 T502-0557 available by request