SA66-1005 Screening compound: 1-(2,4-difluorobenzenesulfonyl)-3-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine

SA66-1005 Screening compound: 1-(2,4-difluorobenzenesulfonyl)-3-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine
SA66-1005 Screening compound: 1-(2,4-difluorobenzenesulfonyl)-3-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA66-1005
1-(2,4-difluorobenzenesulfonyl)-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

SA66-1005

Molecular Formula

C20H25F2N3O4S (C20 H25 F2 N3 O4 S)

Compound Name

1-(2,4-difluorobenzenesulfonyl)-3-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine

IUPAC name

1-(24-difluorobenzenesulfonyl)-3-{2-[5-(oxan-4-yl)-124-oxadiazol-3-yl]ethyl}piperidine

SMILES

O=S(c(ccc(F)c1)c1F)(N1CC(CCc2noc(C3CCOCC3)n2)CCC1)=O

InChI

InChI=1S/C20H25F2N3O4S/c21-16-4-5-18(17(22)12-16)30(26,27)25-9-1-2-14(13-25)3-6-19-23-20(29-24-19)15-7-10-28-11-8-15/h4-5,12,14-15H,1-3,6-11,13H2/t14-/m1/s1

InChI Key

AENKNZJCZRLEPQ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32002723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.593

Distribution Coefficient, logD

3.593

Water Solubility, LogSw

-3.71

Polar Surface Area

72.380

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

SA66-1005 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA66-1005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA66-1005?
Check Price and Availability of SA66-1005, 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 SA66-1005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA66-1005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA66-1005
  • 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 SA66-1005 available by request