SC17-0039 Screening compound: N-(2-{3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}ethyl)-3-pyridinesulfonamide

SC17-0039 Screening compound: N-(2-{3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}ethyl)-3-pyridinesulfonamide
SC17-0039 Screening compound: N-(2-{3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}ethyl)-3-pyridinesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC17-0039
N-(2-{3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}ethyl)-3-pyridinesulfonamide

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

SC17-0039

Molecular Formula

C15H21N5O5S2 (C15 H21 N5 O5 S2)

Compound Name

N-(2-{3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}ethyl)-3-pyridinesulfonamide

IUPAC name

N-{2-[3-(1-methanesulfonylpiperidin-4-yl)-124-oxadiazol-5-yl]ethyl}pyridine-3-sulfonamide

SMILES

CS(N(CC1)CCC1c1noc(CCNS(c2cnccc2)(=O)=O)n1)(=O)=O

InChI

InChI=1S/C15H21N5O5S2/c1-26(21,22)20-9-5-12(6-10-20)15-18-14(25-19-15)4-8-17-27(23,24)13-3-2-7-16-11-13/h2-3,7,11-12,17H,4-6,8-10H2,1H3

InChI Key

IXLDVAAPWNUGLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32256600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.608

Distribution Coefficient, logD

0.607

Water Solubility, LogSw

-1.85

Polar Surface Area

114.174

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.33

SC17-0039 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 SC17-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC17-0039?
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What is the minimum amount of SC17-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC17-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC17-0039
  • 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 SC17-0039 available by request