S976-0179 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluoro-3-(morpholine-4-carbonyl)piperidine-1-carboxamide

S976-0179 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluoro-3-(morpholine-4-carbonyl)piperidine-1-carboxamide
S976-0179 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluoro-3-(morpholine-4-carbonyl)piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S976-0179
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluoro-3-(morpholine-4-carbonyl)piperidine-1-carboxamide

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

S976-0179

Molecular Formula

C19H24FN3O5 (C19 H24 FN3 O5)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluoro-3-(morpholine-4-carbonyl)piperidine-1-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-3-fluoro-3-(morpholine-4-carbonyl)piperidine-1-carboxamide

SMILES

O=C(C(CCC1)(CN1C(Nc(cc1)cc2c1OCCO2)=O)F)N1CCOCC1

InChI

InChI=1S/C19H24FN3O5/c20-19(17(24)22-6-8-26-9-7-22)4-1-5-23(13-19)18(25)21-14-2-3-15-16(12-14)28-11-10-27-15/h2-3,12H,1,4-11,13H2,(H,21,25)/t19-/m0/s1

InChI Key

LHHFRJAESDANRT-IBGZPJMESA-N

MDL Number (MFCD)

MFCD31952919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.341

Distribution Coefficient, logD

0.341

Water Solubility, LogSw

-2.04

Polar Surface Area

66.021

Acid Dissociation Constant (pKa)

12.63

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

S976-0179 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S976-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S976-0179?
Check Price and Availability of S976-0179, 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 S976-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S976-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S976-0179
  • 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 S976-0179 available by request