SC16-0242 Screening compound: 1-{4-[5-({1-[(1-ethyl-1H-pyrazol-5-yl)carbonyl]-3-azetanyl}methyl)-1,2,4-oxadiazol-3-yl]piperidino}-1-ethanone

SC16-0242 Screening compound: 1-{4-[5-({1-[(1-ethyl-1H-pyrazol-5-yl)carbonyl]-3-azetanyl}methyl)-1,2,4-oxadiazol-3-yl]piperidino}-1-ethanone
SC16-0242 Screening compound: 1-{4-[5-({1-[(1-ethyl-1H-pyrazol-5-yl)carbonyl]-3-azetanyl}methyl)-1,2,4-oxadiazol-3-yl]piperidino}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC16-0242
1-{4-[5-({1-[(1-ethyl-1H-pyrazol-5-yl)carbonyl]-3-azetanyl}methyl)-1,2,4-oxadiazol-3-yl]piperidino}-1-ethanone

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

SC16-0242

Molecular Formula

C19H26N6O3 (C19 H26 N6 O3)

Compound Name

1-{4-[5-({1-[(1-ethyl-1H-pyrazol-5-yl)carbonyl]-3-azetanyl}methyl)-1,2,4-oxadiazol-3-yl]piperidino}-1-ethanone

IUPAC name

1-[4-(5-{[1-(1-ethyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]methyl}-124-oxadiazol-3-yl)piperidin-1-yl]ethan-1-one

SMILES

CCn1nccc1C(N1CC(Cc2nc(C(CC3)CCN3C(C)=O)no2)C1)=O

InChI

InChI=1S/C19H26N6O3/c1-3-25-16(4-7-20-25)19(27)24-11-14(12-24)10-17-21-18(22-28-17)15-5-8-23(9-6-15)13(2)26/h4,7,14-15H,3,5-6,8-12H2,1-2H3

InChI Key

DMWKWDOPCOJNAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32255891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.45

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

0.998

Distribution Coefficient, logD

0.998

Water Solubility, LogSw

-1.77

Polar Surface Area

78.633

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.16

SC16-0242 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 SC16-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC16-0242?
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What is the minimum amount of SC16-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC16-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC16-0242
  • 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 SC16-0242 available by request