SA71-0950 Screening compound: 3-(cyclopropylmethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-1-{5-[(4-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}piperidine

SA71-0950 Screening compound: 3-(cyclopropylmethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-1-{5-[(4-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}piperidine
SA71-0950 Screening compound: 3-(cyclopropylmethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-1-{5-[(4-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA71-0950
3-(cyclopropylmethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-1-{5-[(4-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}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

SA71-0950

Molecular Formula

C21H26N6O3 (C21 H26 N6 O3)

Compound Name

3-(cyclopropylmethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-1-{5-[(4-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}piperidine

IUPAC name

3-(cyclopropylmethyl)-3-(5-methyl-124-oxadiazol-3-yl)-1-{5-[(4-methyl-1H-pyrazol-1-yl)methyl]-12-oxazole-3-carbonyl}piperidine

SMILES

Cc1cn(Cc2cc(C(N(CCC3)CC3(CC3CC3)c3noc(C)n3)=O)no2)nc1

InChI

InChI=1S/C21H26N6O3/c1-14-10-22-27(11-14)12-17-8-18(24-30-17)19(28)26-7-3-6-21(13-26,9-16-4-5-16)20-23-15(2)29-25-20/h8,10-11,16H,3-7,9,12-13H2,1-2H3/t21-/m1/s1

InChI Key

KXFVQQNOCBIXIF-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD32239787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.549

Distribution Coefficient, logD

2.549

Water Solubility, LogSw

-2.46

Polar Surface Area

83.460

Acid Dissociation Constant (pKa)

24.89

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

SA71-0950 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 SA71-0950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA71-0950?
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What is the minimum amount of SA71-0950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA71-0950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA71-0950
  • 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 SA71-0950 available by request