SA73-0208 Screening compound: 2-(azepan-1-yl)-1-[4-(cyclopropylmethyl)-4-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethan-1-one

SA73-0208 Screening compound: 2-(azepan-1-yl)-1-[4-(cyclopropylmethyl)-4-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethan-1-one
SA73-0208 Screening compound: 2-(azepan-1-yl)-1-[4-(cyclopropylmethyl)-4-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA73-0208
2-(azepan-1-yl)-1-[4-(cyclopropylmethyl)-4-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethan-1-one

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

SA73-0208

Molecular Formula

C24H33N5O2 (C24 H33 N5 O2)

Compound Name

2-(azepan-1-yl)-1-[4-(cyclopropylmethyl)-4-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethan-1-one

IUPAC name

2-(azepan-1-yl)-1-[4-(cyclopropylmethyl)-4-[5-(pyridin-3-yl)-124-oxadiazol-3-yl]piperidin-1-yl]ethan-1-one

SMILES

O=C(CN1CCCCCC1)N(CC1)CCC1(CC1CC1)c1noc(-c2cnccc2)n1

InChI

InChI=1S/C24H33N5O2/c30-21(18-28-12-3-1-2-4-13-28)29-14-9-24(10-15-29,16-19-7-8-19)23-26-22(31-27-23)20-6-5-11-25-17-20/h5-6,11,17,19H,1-4,7-10,12-16,18H2

InChI Key

AXNUUYHEFJKLCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32241012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.889

Distribution Coefficient, logD

2.317

Water Solubility, LogSw

-2.80

Polar Surface Area

61.870

Acid Dissociation Constant (pKa)

25.20

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

SA73-0208 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA73-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA73-0208?
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What is the minimum amount of SA73-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA73-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA73-0208
  • 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 SA73-0208 available by request