SC04-0498 Screening compound: 2-(2-fluorophenyl)-1-{3-[2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}-1-ethanone

SC04-0498 Screening compound: 2-(2-fluorophenyl)-1-{3-[2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}-1-ethanone
SC04-0498 Screening compound: 2-(2-fluorophenyl)-1-{3-[2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC04-0498
2-(2-fluorophenyl)-1-{3-[2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}-1-ethanone

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

SC04-0498

Molecular Formula

C21H28FN3O3 (C21 H28 FN3 O3)

Compound Name

2-(2-fluorophenyl)-1-{3-[2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}-1-ethanone

IUPAC name

2-(2-fluorophenyl)-1-(3-{2-[5-(2-methylpropyl)-124-oxadiazol-3-yl]ethoxy}piperidin-1-yl)ethan-1-one

SMILES

CC(C)Cc1nc(CCOC(CCC2)CN2C(Cc(cccc2)c2F)=O)no1

InChI

InChI=1S/C21H28FN3O3/c1-15(2)12-20-23-19(24-28-20)9-11-27-17-7-5-10-25(14-17)21(26)13-16-6-3-4-8-18(16)22/h3-4,6,8,15,17H,5,7,9-14H2,1-2H3/t17-/m0/s1

InChI Key

ZJBTVQBKRCXKFU-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32253128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.575

Distribution Coefficient, logD

3.575

Water Solubility, LogSw

-3.59

Polar Surface Area

55.558

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

SC04-0498 in Drug Discovery

Included in Screening Libraries

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 SC04-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC04-0498?
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What is the minimum amount of SC04-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC04-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC04-0498
  • 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 SC04-0498 available by request