SA58-0264 Screening compound: 3-[3-(2-{1-[4-(propan-2-yl)benzoyl]pyrrolidin-2-yl}ethyl)-1,2,4-oxadiazol-5-yl]pyridine

SA58-0264 Screening compound: 3-[3-(2-{1-[4-(propan-2-yl)benzoyl]pyrrolidin-2-yl}ethyl)-1,2,4-oxadiazol-5-yl]pyridine
SA58-0264 Screening compound: 3-[3-(2-{1-[4-(propan-2-yl)benzoyl]pyrrolidin-2-yl}ethyl)-1,2,4-oxadiazol-5-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA58-0264
3-[3-(2-{1-[4-(propan-2-yl)benzoyl]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

SA58-0264

Molecular Formula

C23H26N4O2 (C23 H26 N4 O2)

Compound Name

3-[3-(2-{1-[4-(propan-2-yl)benzoyl]pyrrolidin-2-yl}ethyl)-1,2,4-oxadiazol-5-yl]pyridine

IUPAC name

3-[3-(2-{1-[4-(propan-2-yl)benzoyl]pyrrolidin-2-yl}ethyl)-124-oxadiazol-5-yl]pyridine

SMILES

CC(C)c(cc1)ccc1C(N1C(CCc2noc(-c3cnccc3)n2)CCC1)=O

InChI

InChI=1S/C23H26N4O2/c1-16(2)17-7-9-18(10-8-17)23(28)27-14-4-6-20(27)11-12-21-25-22(29-26-21)19-5-3-13-24-15-19/h3,5,7-10,13,15-16,20H,4,6,11-12,14H2,1-2H3/t20-/m1/s1

InChI Key

VXLXUHBYLFFNNU-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD32000008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.935

Distribution Coefficient, logD

3.842

Water Solubility, LogSw

-3.64

Polar Surface Area

58.813

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

SA58-0264 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA58-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA58-0264?
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What is the minimum amount of SA58-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA58-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA58-0264
  • 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 SA58-0264 available by request