SA66-1219 Screening compound: 1-{5-[(1H-imidazol-1-yl)methyl]furan-2-carbonyl}-3-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine

SA66-1219 Screening compound: 1-{5-[(1H-imidazol-1-yl)methyl]furan-2-carbonyl}-3-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine
SA66-1219 Screening compound: 1-{5-[(1H-imidazol-1-yl)methyl]furan-2-carbonyl}-3-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA66-1219
1-{5-[(1H-imidazol-1-yl)methyl]furan-2-carbonyl}-3-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}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

SA66-1219

Molecular Formula

C23H29N5O4 (C23 H29 N5 O4)

Compound Name

1-{5-[(1H-imidazol-1-yl)methyl]furan-2-carbonyl}-3-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine

IUPAC name

1-{5-[(1H-imidazol-1-yl)methyl]furan-2-carbonyl}-3-{2-[5-(oxan-4-yl)-124-oxadiazol-3-yl]ethyl}piperidine

SMILES

O=C(c1ccc(Cn2cncc2)o1)N1CC(CCc2noc(C3CCOCC3)n2)CCC1

InChI

InChI=1S/C23H29N5O4/c29-23(20-5-4-19(31-20)15-27-11-9-24-16-27)28-10-1-2-17(14-28)3-6-21-25-22(32-26-21)18-7-12-30-13-8-18/h4-5,9,11,16-18H,1-3,6-8,10,12-15H2/t17-/m1/s1

InChI Key

CUSRLUKDJLGEEC-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32001751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.772

Distribution Coefficient, logD

2.750

Water Solubility, LogSw

-2.74

Polar Surface Area

77.709

Acid Dissociation Constant (pKa)

25.15

Base Dissociation Constant (pKb)

6.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.52

SA66-1219 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS Targets (44014 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 SA66-1219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA66-1219?
Check Price and Availability of SA66-1219, 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 SA66-1219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA66-1219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA66-1219
  • 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 SA66-1219 available by request