SC04-0561 Screening compound: {3-[2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}(3-phenyl-1H-pyrazol-4-yl)methanone

SC04-0561 Screening compound: {3-[2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}(3-phenyl-1H-pyrazol-4-yl)methanone
SC04-0561 Screening compound: {3-[2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}(3-phenyl-1H-pyrazol-4-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC04-0561
{3-[2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}(3-phenyl-1H-pyrazol-4-yl)methanone

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

SC04-0561

Molecular Formula

C23H29N5O3 (C23 H29 N5 O3)

Compound Name

{3-[2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}(3-phenyl-1H-pyrazol-4-yl)methanone

IUPAC name

3-{2-[5-(2-methylpropyl)-124-oxadiazol-3-yl]ethoxy}-1-(3-phenyl-1H-pyrazole-4-carbonyl)piperidine

SMILES

CC(C)Cc1nc(CCOC(CCC2)CN2C(c2c[nH]nc2-c2ccccc2)=O)no1

InChI

InChI=1S/C23H29N5O3/c1-16(2)13-21-25-20(27-31-21)10-12-30-18-9-6-11-28(15-18)23(29)19-14-24-26-22(19)17-7-4-3-5-8-17/h3-5,7-8,14,16,18H,6,9-13,15H2,1-2H3,(H,24,26)/t18-/m0/s1

InChI Key

WHZSFXKVGZAERK-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32253539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.171

Distribution Coefficient, logD

3.171

Water Solubility, LogSw

-3.43

Polar Surface Area

80.275

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.83

SC04-0561 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with SC04-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC04-0561?
Check Price and Availability of SC04-0561, 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 SC04-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC04-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC04-0561
  • 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 SC04-0561 available by request