SA72-1094 Screening compound: 1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-4-(2-methoxyethyl)-4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine

SA72-1094 Screening compound: 1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-4-(2-methoxyethyl)-4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine
SA72-1094 Screening compound: 1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-4-(2-methoxyethyl)-4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA72-1094
1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-4-(2-methoxyethyl)-4-[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

SA72-1094

Molecular Formula

C21H31N5O4 (C21 H31 N5 O4)

Compound Name

1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-4-(2-methoxyethyl)-4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine

IUPAC name

1-(15-dimethyl-1H-pyrazole-3-carbonyl)-4-(2-methoxyethyl)-4-[5-(oxan-4-yl)-124-oxadiazol-3-yl]piperidine

SMILES

Cc1cc(C(N(CC2)CCC2(CCOC)c2noc(C3CCOCC3)n2)=O)nn1C

InChI

InChI=1S/C21H31N5O4/c1-15-14-17(23-25(15)2)19(27)26-9-6-21(7-10-26,8-13-28-3)20-22-18(30-24-20)16-4-11-29-12-5-16/h14,16H,4-13H2,1-3H3

InChI Key

QJZDLNTXBHPNHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32240470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

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

1.800

Distribution Coefficient, logD

1.800

Water Solubility, LogSw

-1.82

Polar Surface Area

79.222

Acid Dissociation Constant (pKa)

26.56

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.43

SA72-1094 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 SA72-1094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA72-1094?
Check Price and Availability of SA72-1094, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SA72-1094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA72-1094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA72-1094
  • 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 SA72-1094 available by request