SC04-0652 Screening compound: 3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino (2-thienyl) sulfone

SC04-0652 Screening compound: 3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino (2-thienyl) sulfone
SC04-0652 Screening compound: 3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino (2-thienyl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC04-0652
3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino (2-thienyl) sulfone

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

SC04-0652

Molecular Formula

C16H21N3O4S2 (C16 H21 N3 O4 S2)

Compound Name

3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino (2-thienyl) sulfone

IUPAC name

3-[2-(5-cyclopropyl-124-oxadiazol-3-yl)ethoxy]-1-(thiophene-2-sulfonyl)piperidine

SMILES

O=S(c1cccs1)(N(CCC1)CC1OCCc1noc(C2CC2)n1)=O

InChI

InChI=1S/C16H21N3O4S2/c20-25(21,15-4-2-10-24-15)19-8-1-3-13(11-19)22-9-7-14-17-16(23-18-14)12-5-6-12/h2,4,10,12-13H,1,3,5-9,11H2/t13-/m0/s1

InChI Key

UPCCBZSFPCZTOF-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD32252958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.347

Distribution Coefficient, logD

2.347

Water Solubility, LogSw

-2.57

Polar Surface Area

72.752

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

SC04-0652 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC04-0652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC04-0652?
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What is the minimum amount of SC04-0652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC04-0652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC04-0652
  • 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 SC04-0652 available by request