SA65-1082 Screening compound: 4-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2,3-dihydro-1H-indene-5-sulfonyl)piperidine

SA65-1082 Screening compound: 4-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2,3-dihydro-1H-indene-5-sulfonyl)piperidine
SA65-1082 Screening compound: 4-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2,3-dihydro-1H-indene-5-sulfonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA65-1082
4-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2,3-dihydro-1H-indene-5-sulfonyl)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

SA65-1082

Molecular Formula

C21H27N3O3S (C21 H27 N3 O3 S)

Compound Name

4-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2,3-dihydro-1H-indene-5-sulfonyl)piperidine

IUPAC name

4-[2-(5-cyclopropyl-124-oxadiazol-3-yl)ethyl]-1-(23-dihydro-1H-indene-5-sulfonyl)piperidine

SMILES

O=S(c1cc(CCC2)c2cc1)(N1CCC(CCc2noc(C3CC3)n2)CC1)=O

InChI

InChI=1S/C21H27N3O3S/c25-28(26,19-8-7-16-2-1-3-18(16)14-19)24-12-10-15(11-13-24)4-9-20-22-21(27-23-20)17-5-6-17/h7-8,14-15,17H,1-6,9-13H2

InChI Key

OTWXTEGVYABMLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32000305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.901

Distribution Coefficient, logD

4.901

Water Solubility, LogSw

-4.96

Polar Surface Area

65.155

Acid Dissociation Constant (pKa)

20.77

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

SA65-1082 in Drug Discovery

Included in Screening Libraries

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 SA65-1082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA65-1082?
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What is the minimum amount of SA65-1082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA65-1082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA65-1082
  • 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 SA65-1082 available by request