SA72-0191 Screening compound: 4-{3-[4-(2-methoxyethyl)-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl}pyridine

SA72-0191 Screening compound: 4-{3-[4-(2-methoxyethyl)-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl}pyridine
SA72-0191 Screening compound: 4-{3-[4-(2-methoxyethyl)-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA72-0191
4-{3-[4-(2-methoxyethyl)-1-(1-methyl-1H-pyrrole-2-carbonyl)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

SA72-0191

Molecular Formula

C21H25N5O3 (C21 H25 N5 O3)

Compound Name

4-{3-[4-(2-methoxyethyl)-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl}pyridine

IUPAC name

4-{3-[4-(2-methoxyethyl)-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-124-oxadiazol-5-yl}pyridine

SMILES

Cn1c(C(N(CC2)CCC2(CCOC)c2noc(-c3ccncc3)n2)=O)ccc1

InChI

InChI=1S/C21H25N5O3/c1-25-12-3-4-17(25)19(27)26-13-7-21(8-14-26,9-15-28-2)20-23-18(29-24-20)16-5-10-22-11-6-16/h3-6,10-12H,7-9,13-15H2,1-2H3

InChI Key

ANFIIDFKCAERDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32240120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.519

Distribution Coefficient, logD

2.518

Water Solubility, LogSw

-2.01

Polar Surface Area

68.480

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

SA72-0191 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 SA72-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA72-0191?
Check Price and Availability of SA72-0191, 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 SA72-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA72-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA72-0191
  • 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 SA72-0191 available by request