SC04-0508 Screening compound: 3-[2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino (1-methyl-1H-imidazol-4-yl) sulfone

SC04-0508 Screening compound: 3-[2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino (1-methyl-1H-imidazol-4-yl) sulfone
SC04-0508 Screening compound: 3-[2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino (1-methyl-1H-imidazol-4-yl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC04-0508
3-[2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino (1-methyl-1H-imidazol-4-yl) 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

SC04-0508

Molecular Formula

C17H27N5O4S (C17 H27 N5 O4 S)

Compound Name

3-[2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino (1-methyl-1H-imidazol-4-yl) sulfone

IUPAC name

1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-3-{2-[5-(2-methylpropyl)-124-oxadiazol-3-yl]ethoxy}piperidine

SMILES

CC(C)Cc1nc(CCOC(CCC2)CN2S(c2cn(C)cn2)(=O)=O)no1

InChI

InChI=1S/C17H27N5O4S/c1-13(2)9-16-19-15(20-26-16)6-8-25-14-5-4-7-22(10-14)27(23,24)17-11-21(3)12-18-17/h11-14H,4-10H2,1-3H3/t14-/m0/s1

InChI Key

WKYQWEAJAIUDEV-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32253189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.302

Distribution Coefficient, logD

1.302

Water Solubility, LogSw

-1.75

Polar Surface Area

83.559

Acid Dissociation Constant (pKa)

25.29

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.59

SC04-0508 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 SC04-0508 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC04-0508?
Check Price and Availability of SC04-0508, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SC04-0508 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC04-0508
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC04-0508
  • 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 SC04-0508 available by request