SA71-1132 Screening compound: 3-{3-[3-(cyclopropylmethyl)-1-(3,4-difluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl}pyridine

SA71-1132 Screening compound: 3-{3-[3-(cyclopropylmethyl)-1-(3,4-difluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl}pyridine
SA71-1132 Screening compound: 3-{3-[3-(cyclopropylmethyl)-1-(3,4-difluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA71-1132
3-{3-[3-(cyclopropylmethyl)-1-(3,4-difluorobenzoyl)piperidin-3-yl]-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

SA71-1132

Molecular Formula

C23H22F2N4O2 (C23 H22 F2 N4 O2)

Compound Name

3-{3-[3-(cyclopropylmethyl)-1-(3,4-difluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl}pyridine

IUPAC name

3-{3-[3-(cyclopropylmethyl)-1-(34-difluorobenzoyl)piperidin-3-yl]-124-oxadiazol-5-yl}pyridine

SMILES

O=C(c(cc1)cc(F)c1F)N(CCC1)CC1(CC1CC1)c1noc(-c2cnccc2)n1

InChI

InChI=1S/C23H22F2N4O2/c24-18-7-6-16(11-19(18)25)21(30)29-10-2-8-23(14-29,12-15-4-5-15)22-27-20(31-28-22)17-3-1-9-26-13-17/h1,3,6-7,9,11,13,15H,2,4-5,8,10,12,14H2/t23-/m1/s1

InChI Key

LWBXVZMAYBASBQ-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD32241180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.585

Distribution Coefficient, logD

3.492

Water Solubility, LogSw

-3.59

Polar Surface Area

57.995

Acid Dissociation Constant (pKa)

24.89

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

SA71-1132 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SA71-1132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA71-1132?
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What is the minimum amount of SA71-1132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA71-1132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA71-1132
  • 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 SA71-1132 available by request