SC18-0028 Screening compound: N-({3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}methyl)-N-[(5-methyl-2-thienyl)methyl]amine

SC18-0028 Screening compound: N-({3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}methyl)-N-[(5-methyl-2-thienyl)methyl]amine
SC18-0028 Screening compound: N-({3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}methyl)-N-[(5-methyl-2-thienyl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound SC18-0028
N-({3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}methyl)-N-[(5-methyl-2-thienyl)methyl]amine

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

SC18-0028

Molecular Formula

C15H22N4O3S2 (C15 H22 N4 O3 S2)

Compound Name

N-({3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}methyl)-N-[(5-methyl-2-thienyl)methyl]amine

IUPAC name

{[3-(1-methanesulfonylpiperidin-4-yl)-124-oxadiazol-5-yl]methyl}[(5-methylthiophen-2-yl)methyl]amine

SMILES

Cc1ccc(CNCc2nc(C(CC3)CCN3S(C)(=O)=O)no2)s1

InChI

InChI=1S/C15H22N4O3S2/c1-11-3-4-13(23-11)9-16-10-14-17-15(18-22-14)12-5-7-19(8-6-12)24(2,20)21/h3-4,12,16H,5-10H2,1-2H3

InChI Key

TZSGIFFIUYXJDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32256608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.837

Distribution Coefficient, logD

-0.240

Water Solubility, LogSw

-2.33

Polar Surface Area

75.841

Acid Dissociation Constant (pKa)

23.53

Base Dissociation Constant (pKb)

9.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

SC18-0028 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 SC18-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC18-0028?
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What is the minimum amount of SC18-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC18-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC18-0028
  • 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 SC18-0028 available by request