SA73-0401 Screening compound: 1-[4-(cyclopropylmethyl)-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one

SA73-0401 Screening compound: 1-[4-(cyclopropylmethyl)-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one
SA73-0401 Screening compound: 1-[4-(cyclopropylmethyl)-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA73-0401
1-[4-(cyclopropylmethyl)-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-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

SA73-0401

Molecular Formula

C21H31N5O3 (C21 H31 N5 O3)

Compound Name

1-[4-(cyclopropylmethyl)-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one

IUPAC name

1-[4-(cyclopropylmethyl)-4-[5-(methoxymethyl)-124-oxadiazol-3-yl]piperidin-1-yl]-3-(35-dimethyl-1H-pyrazol-1-yl)propan-1-one

SMILES

Cc1cc(C)nn1CCC(N(CC1)CCC1(CC1CC1)c1noc(COC)n1)=O

InChI

InChI=1S/C21H31N5O3/c1-15-12-16(2)26(23-15)9-6-19(27)25-10-7-21(8-11-25,13-17-4-5-17)20-22-18(14-28-3)29-24-20/h12,17H,4-11,13-14H2,1-3H3

InChI Key

DVMWDVREUXIEBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32240049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.421

Distribution Coefficient, logD

1.420

Water Solubility, LogSw

-1.61

Polar Surface Area

70.363

Acid Dissociation Constant (pKa)

23.47

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.43

SA73-0401 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 SA73-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA73-0401?
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What is the minimum amount of SA73-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA73-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA73-0401
  • 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 SA73-0401 available by request