SC41-0097 Screening compound: 2-(4-ethoxyphenyl)-1-[3-fluoro-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1-pyrrolidinyl]-1-ethanone

SC41-0097 Screening compound: 2-(4-ethoxyphenyl)-1-[3-fluoro-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1-pyrrolidinyl]-1-ethanone
SC41-0097 Screening compound: 2-(4-ethoxyphenyl)-1-[3-fluoro-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1-pyrrolidinyl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC41-0097
2-(4-ethoxyphenyl)-1-[3-fluoro-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1-pyrrolidinyl]-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

SC41-0097

Molecular Formula

C22H22FN3O3 (C22 H22 FN3 O3)

Compound Name

2-(4-ethoxyphenyl)-1-[3-fluoro-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1-pyrrolidinyl]-1-ethanone

IUPAC name

2-(4-ethoxyphenyl)-1-[3-fluoro-3-(5-phenyl-124-oxadiazol-3-yl)pyrrolidin-1-yl]ethan-1-one

SMILES

CCOc1ccc(CC(N(CC2)CC2(c2noc(-c3ccccc3)n2)F)=O)cc1

InChI

InChI=1S/C22H22FN3O3/c1-2-28-18-10-8-16(9-11-18)14-19(27)26-13-12-22(23,15-26)21-24-20(29-25-21)17-6-4-3-5-7-17/h3-11H,2,12-15H2,1H3/t22-/m0/s1

InChI Key

MIVFTFPSQLPTIJ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD32258600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.202

Distribution Coefficient, logD

4.202

Water Solubility, LogSw

-4.08

Polar Surface Area

55.188

Acid Dissociation Constant (pKa)

17.94

Base Dissociation Constant (pKb)

-3.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.82

SC41-0097 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 SC41-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC41-0097?
Check Price and Availability of SC41-0097, 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 SC41-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC41-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC41-0097
  • 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 SC41-0097 available by request