SC08-0093 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(3-{3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}-1-azetanyl)-1-propanone

SC08-0093 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(3-{3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}-1-azetanyl)-1-propanone
SC08-0093 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(3-{3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}-1-azetanyl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC08-0093
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(3-{3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}-1-azetanyl)-1-propanone

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

SC08-0093

Molecular Formula

C19H28N6O4S (C19 H28 N6 O4 S)

Compound Name

3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(3-{3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}-1-azetanyl)-1-propanone

IUPAC name

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

SMILES

Cc1cc(C)nn1CCC(N(C1)CC1c1nc(C(CC2)CCN2S(C)(=O)=O)no1)=O

InChI

InChI=1S/C19H28N6O4S/c1-13-10-14(2)25(21-13)9-6-17(26)23-11-16(12-23)19-20-18(22-29-19)15-4-7-24(8-5-15)30(3,27)28/h10,15-16H,4-9,11-12H2,1-3H3

InChI Key

YRIANAWDOHCZTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32253793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.270

Distribution Coefficient, logD

0.269

Water Solubility, LogSw

-1.55

Polar Surface Area

93.423

Acid Dissociation Constant (pKa)

22.63

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.42

SC08-0093 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC08-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC08-0093?
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What is the minimum amount of SC08-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC08-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC08-0093
  • 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 SC08-0093 available by request