SA73-1104 Screening compound: 4-{3-[4-(cyclopropylmethyl)-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl}pyridine

SA73-1104 Screening compound: 4-{3-[4-(cyclopropylmethyl)-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl}pyridine
SA73-1104 Screening compound: 4-{3-[4-(cyclopropylmethyl)-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA73-1104
4-{3-[4-(cyclopropylmethyl)-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl}pyridine

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

SA73-1104

Molecular Formula

C20H24N6O3S (C20 H24 N6 O3 S)

Compound Name

4-{3-[4-(cyclopropylmethyl)-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl}pyridine

IUPAC name

4-{3-[4-(cyclopropylmethyl)-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-yl]-124-oxadiazol-5-yl}pyridine

SMILES

Cn1cnc(S(N(CC2)CCC2(CC2CC2)c2noc(-c3ccncc3)n2)(=O)=O)c1

InChI

InChI=1S/C20H24N6O3S/c1-25-13-17(22-14-25)30(27,28)26-10-6-20(7-11-26,12-15-2-3-15)19-23-18(29-24-19)16-4-8-21-9-5-16/h4-5,8-9,13-15H,2-3,6-7,10-12H2,1H3

InChI Key

HDYXJOYGEZBCFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32242746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.093

Distribution Coefficient, logD

2.092

Water Solubility, LogSw

-2.27

Polar Surface Area

85.446

Acid Dissociation Constant (pKa)

25.20

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

SA73-1104 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 SA73-1104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA73-1104?
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What is the minimum amount of SA73-1104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA73-1104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA73-1104
  • 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 SA73-1104 available by request