SC18-0052 Screening compound: 2-chloro-N-({3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}methyl)-1-benzenesulfonamide

SC18-0052 Screening compound: 2-chloro-N-({3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}methyl)-1-benzenesulfonamide
SC18-0052 Screening compound: 2-chloro-N-({3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}methyl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC18-0052
2-chloro-N-({3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}methyl)-1-benzenesulfonamide

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

SC18-0052

Molecular Formula

C15H19ClN4O5S2 (C15 H19 ClN4 O5 S2)

Compound Name

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

IUPAC name

2-chloro-N-{[3-(1-methanesulfonylpiperidin-4-yl)-124-oxadiazol-5-yl]methyl}benzene-1-sulfonamide

SMILES

CS(N(CC1)CCC1c1noc(CNS(c(cccc2)c2Cl)(=O)=O)n1)(=O)=O

InChI

InChI=1S/C15H19ClN4O5S2/c1-26(21,22)20-8-6-11(7-9-20)15-18-14(25-19-15)10-17-27(23,24)13-5-3-2-4-12(13)16/h2-5,11,17H,6-10H2,1H3

InChI Key

RYJBZWUEBMJKOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32256735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.92

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.597

Distribution Coefficient, logD

1.583

Water Solubility, LogSw

-2.64

Polar Surface Area

104.815

Acid Dissociation Constant (pKa)

8.88

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.67

SC18-0052 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 SC18-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC18-0052?
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What is the minimum amount of SC18-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC18-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC18-0052
  • 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 SC18-0052 available by request