SA71-0623 Screening compound: 3-(cyclopropylmethyl)-1-[(3,4-difluorophenyl)methyl]-3-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine

SA71-0623 Screening compound: 3-(cyclopropylmethyl)-1-[(3,4-difluorophenyl)methyl]-3-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine
SA71-0623 Screening compound: 3-(cyclopropylmethyl)-1-[(3,4-difluorophenyl)methyl]-3-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA71-0623
3-(cyclopropylmethyl)-1-[(3,4-difluorophenyl)methyl]-3-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine

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

SA71-0623

Molecular Formula

C23H29F2N3O2 (C23 H29 F2 N3 O2)

Compound Name

3-(cyclopropylmethyl)-1-[(3,4-difluorophenyl)methyl]-3-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine

IUPAC name

3-(cyclopropylmethyl)-1-[(34-difluorophenyl)methyl]-3-[5-(oxan-4-yl)-124-oxadiazol-3-yl]piperidine

SMILES

Fc(ccc(CN(CCC1)CC1(CC1CC1)c1noc(C2CCOCC2)n1)c1)c1F

InChI

InChI=1S/C23H29F2N3O2/c24-19-5-4-17(12-20(19)25)14-28-9-1-8-23(15-28,13-16-2-3-16)22-26-21(30-27-22)18-6-10-29-11-7-18/h4-5,12,16,18H,1-3,6-11,13-15H2/t23-/m1/s1

InChI Key

YTRUGDJKCKNPBA-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD32001792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.699

Distribution Coefficient, logD

4.555

Water Solubility, LogSw

-4.61

Polar Surface Area

43.662

Acid Dissociation Constant (pKa)

24.89

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.22

SA71-0623 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 SA71-0623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA71-0623?
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What is the minimum amount of SA71-0623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA71-0623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA71-0623
  • 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 SA71-0623 available by request