SC04-0057 Screening compound: 3-[2-({1-[(5-chloro-2-thienyl)sulfonyl]-3-piperidyl}oxy)ethyl]-5-methyl-1,2,4-oxadiazole

SC04-0057 Screening compound: 3-[2-({1-[(5-chloro-2-thienyl)sulfonyl]-3-piperidyl}oxy)ethyl]-5-methyl-1,2,4-oxadiazole
SC04-0057 Screening compound: 3-[2-({1-[(5-chloro-2-thienyl)sulfonyl]-3-piperidyl}oxy)ethyl]-5-methyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SC04-0057
3-[2-({1-[(5-chloro-2-thienyl)sulfonyl]-3-piperidyl}oxy)ethyl]-5-methyl-1,2,4-oxadiazole

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

SC04-0057

Molecular Formula

C14H18ClN3O4S2 (C14 H18 ClN3 O4 S2)

Compound Name

3-[2-({1-[(5-chloro-2-thienyl)sulfonyl]-3-piperidyl}oxy)ethyl]-5-methyl-1,2,4-oxadiazole

IUPAC name

1-[(5-chlorothiophen-2-yl)sulfonyl]-3-[2-(5-methyl-124-oxadiazol-3-yl)ethoxy]piperidine

SMILES

Cc1nc(CCOC(CCC2)CN2S(c(s2)ccc2Cl)(=O)=O)no1

InChI

InChI=1S/C14H18ClN3O4S2/c1-10-16-13(17-22-10)6-8-21-11-3-2-7-18(9-11)24(19,20)14-5-4-12(15)23-14/h4-5,11H,2-3,6-9H2,1H3/t11-/m0/s1

InChI Key

BJPPUSJOWVSYKS-NSHDSACASA-N

MDL Number (MFCD)

MFCD32251494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.139

Distribution Coefficient, logD

2.139

Water Solubility, LogSw

-2.83

Polar Surface Area

71.729

Acid Dissociation Constant (pKa)

26.81

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

SC04-0057 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 SC04-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC04-0057?
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What is the minimum amount of SC04-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC04-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC04-0057
  • 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 SC04-0057 available by request