T955-0354 Screening compound: N~1~-(tert-butyl)-3-{3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl}tetrahydro-1(2H)-pyridinecarboxamide

T955-0354 Screening compound: N~1~-(tert-butyl)-3-{3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl}tetrahydro-1(2H)-pyridinecarboxamide
T955-0354 Screening compound: N~1~-(tert-butyl)-3-{3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl}tetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T955-0354
N~1~-(tert-butyl)-3-{3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl}tetrahydro-1(2H)-pyridinecarboxamide

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

T955-0354

Molecular Formula

C20H27FN4O3 (C20 H27 FN4 O3)

Compound Name

N~1~-(tert-butyl)-3-{3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl}tetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

N-tert-butyl-3-{3-[2-(4-fluorophenoxy)ethyl]-124-oxadiazol-5-yl}piperidine-1-carboxamide

SMILES

CC(C)(C)NC(N(CCC1)CC1c1nc(CCOc(cc2)ccc2F)no1)=O

InChI

InChI=1S/C20H27FN4O3/c1-20(2,3)23-19(26)25-11-4-5-14(13-25)18-22-17(24-28-18)10-12-27-16-8-6-15(21)7-9-16/h6-9,14H,4-5,10-13H2,1-3H3,(H,23,26)/t14-/m0/s1

InChI Key

VPAAJBNPMSOTGJ-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.016

Distribution Coefficient, logD

4.016

Water Solubility, LogSw

-4.00

Polar Surface Area

65.873

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

T955-0354 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with T955-0354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T955-0354?
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What is the minimum amount of T955-0354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T955-0354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T955-0354
  • 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 T955-0354 available by request