SA71-0569 Screening compound: 1-[3-(cyclopropylmethyl)-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one

SA71-0569 Screening compound: 1-[3-(cyclopropylmethyl)-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one
SA71-0569 Screening compound: 1-[3-(cyclopropylmethyl)-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA71-0569
1-[3-(cyclopropylmethyl)-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-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

SA71-0569

Molecular Formula

C24H28FN5O2 (C24 H28 FN5 O2)

Compound Name

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

IUPAC name

1-[3-(cyclopropylmethyl)-3-[5-(4-fluorophenyl)-124-oxadiazol-3-yl]piperidin-1-yl]-2-(35-dimethyl-1H-pyrazol-1-yl)ethan-1-one

SMILES

Cc1cc(C)nn1CC(N(CCC1)CC1(CC1CC1)c1noc(-c(cc2)ccc2F)n1)=O

InChI

InChI=1S/C24H28FN5O2/c1-16-12-17(2)30(27-16)14-21(31)29-11-3-10-24(15-29,13-18-4-5-18)23-26-22(32-28-23)19-6-8-20(25)9-7-19/h6-9,12,18H,3-5,10-11,13-15H2,1-2H3/t24-/m1/s1

InChI Key

GZBDBCRICTVGNH-XMMPIXPASA-N

MDL Number (MFCD)

MFCD32240738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.243

Distribution Coefficient, logD

3.243

Water Solubility, LogSw

-3.18

Polar Surface Area

61.957

Acid Dissociation Constant (pKa)

24.89

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SA71-0569 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 SA71-0569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA71-0569?
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What is the minimum amount of SA71-0569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA71-0569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA71-0569
  • 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 SA71-0569 available by request