SA69-0306 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{3-methyl-3-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl}propan-1-one

SA69-0306 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{3-methyl-3-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl}propan-1-one
SA69-0306 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{3-methyl-3-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA69-0306
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{3-methyl-3-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl}propan-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

SA69-0306

Molecular Formula

C21H31N5O3 (C21 H31 N5 O3)

Compound Name

3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{3-methyl-3-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl}propan-1-one

IUPAC name

3-(35-dimethyl-1H-pyrazol-1-yl)-1-{3-methyl-3-[5-(oxan-4-yl)-124-oxadiazol-3-yl]piperidin-1-yl}propan-1-one

SMILES

CC(CCC1)(CN1C(CCn1nc(C)cc1C)=O)c1noc(C2CCOCC2)n1

InChI

InChI=1S/C21H31N5O3/c1-15-13-16(2)26(23-15)10-5-18(27)25-9-4-8-21(3,14-25)20-22-19(29-24-20)17-6-11-28-12-7-17/h13,17H,4-12,14H2,1-3H3/t21-/m0/s1

InChI Key

LTDZLFOCTFJNLL-NRFANRHFSA-N

MDL Number (MFCD)

MFCD32002274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.891

Distribution Coefficient, logD

1.891

Water Solubility, LogSw

-2.10

Polar Surface Area

69.785

Acid Dissociation Constant (pKa)

23.21

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.43

SA69-0306 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA69-0306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA69-0306?
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What is the minimum amount of SA69-0306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA69-0306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA69-0306
  • 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 SA69-0306 available by request