SC41-0095 Screening compound: [3-fluoro-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1-pyrrolidinyl](1-phenylcyclopropyl)methanone

SC41-0095 Screening compound: [3-fluoro-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1-pyrrolidinyl](1-phenylcyclopropyl)methanone
SC41-0095 Screening compound: [3-fluoro-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1-pyrrolidinyl](1-phenylcyclopropyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC41-0095
[3-fluoro-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1-pyrrolidinyl](1-phenylcyclopropyl)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

SC41-0095

Molecular Formula

C22H20FN3O2 (C22 H20 FN3 O2)

Compound Name

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

IUPAC name

3-[3-fluoro-1-(1-phenylcyclopropanecarbonyl)pyrrolidin-3-yl]-5-phenyl-124-oxadiazole

SMILES

O=C(C1(CC1)c1ccccc1)N(CC1)CC1(c1noc(-c2ccccc2)n1)F

InChI

InChI=1S/C22H20FN3O2/c23-22(19-24-18(28-25-19)16-7-3-1-4-8-16)13-14-26(15-22)20(27)21(11-12-21)17-9-5-2-6-10-17/h1-10H,11-15H2/t22-/m0/s1

InChI Key

HWYVUIBZAGABKB-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD32258598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.015

Distribution Coefficient, logD

4.015

Water Solubility, LogSw

-4.17

Polar Surface Area

48.844

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.82

SC41-0095 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 SC41-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC41-0095?
Check Price and Availability of SC41-0095, 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 SC41-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC41-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC41-0095
  • 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 SC41-0095 available by request