SA58-0774 Screening compound: 4-(3-{2-[1-(1-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-2-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine

SA58-0774 Screening compound: 4-(3-{2-[1-(1-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-2-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine
SA58-0774 Screening compound: 4-(3-{2-[1-(1-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-2-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA58-0774
4-(3-{2-[1-(1-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-2-yl]ethyl}-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

SA58-0774

Molecular Formula

C19H21N5O2 (C19 H21 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(C(N2C(CCc3noc(-c4ccncc4)n3)CCC2)=O)ccc1

InChI

InChI=1S/C19H21N5O2/c1-23-12-3-5-16(23)19(25)24-13-2-4-15(24)6-7-17-21-18(26-22-17)14-8-10-20-11-9-14/h3,5,8-12,15H,2,4,6-7,13H2,1H3/t15-/m1/s1

InChI Key

NKDIKPBCBVUTCJ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32000270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.586

Distribution Coefficient, logD

2.586

Water Solubility, LogSw

-2.34

Polar Surface Area

61.140

Acid Dissociation Constant (pKa)

25.69

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.84

SA58-0774 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA58-0774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA58-0774?
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What is the minimum amount of SA58-0774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA58-0774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA58-0774
  • 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 SA58-0774 available by request