SC41-0052 Screening compound: [3-fluoro-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1-pyrrolidinyl](3-thienyl)methanone

SC41-0052 Screening compound: [3-fluoro-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1-pyrrolidinyl](3-thienyl)methanone
SC41-0052 Screening compound: [3-fluoro-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1-pyrrolidinyl](3-thienyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC41-0052
[3-fluoro-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1-pyrrolidinyl](3-thienyl)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

SC41-0052

Molecular Formula

C17H14FN3O2S (C17 H14 FN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cscc1)N(CC1)CC1(c1noc(-c2ccccc2)n1)F

InChI

InChI=1S/C17H14FN3O2S/c18-17(7-8-21(11-17)15(22)13-6-9-24-10-13)16-19-14(23-20-16)12-4-2-1-3-5-12/h1-6,9-10H,7-8,11H2/t17-/m0/s1

InChI Key

UZWGBEDSTQKLIP-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32258475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.337

Distribution Coefficient, logD

3.337

Water Solubility, LogSw

-3.43

Polar Surface Area

49.610

Acid Dissociation Constant (pKa)

26.81

Base Dissociation Constant (pKb)

-6.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.53

SC41-0052 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 SC41-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC41-0052?
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What is the minimum amount of SC41-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC41-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC41-0052
  • 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 SC41-0052 available by request