SC39-0081 Screening compound: [3-fluoro-3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl](3-methyl-2-pyridyl)methanone

SC39-0081 Screening compound: [3-fluoro-3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl](3-methyl-2-pyridyl)methanone
SC39-0081 Screening compound: [3-fluoro-3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl](3-methyl-2-pyridyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC39-0081
[3-fluoro-3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl](3-methyl-2-pyridyl)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

SC39-0081

Molecular Formula

C18H21FN4O3 (C18 H21 FN4 O3)

Compound Name

[3-fluoro-3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl](3-methyl-2-pyridyl)methanone

IUPAC name

2-{3-fluoro-3-[3-(oxan-4-yl)-124-oxadiazol-5-yl]pyrrolidine-1-carbonyl}-3-methylpyridine

SMILES

Cc1cccnc1C(N(CC1)CC1(c1nc(C2CCOCC2)no1)F)=O

InChI

InChI=1S/C18H21FN4O3/c1-12-3-2-7-20-14(12)16(24)23-8-6-18(19,11-23)17-21-15(22-26-17)13-4-9-25-10-5-13/h2-3,7,13H,4-6,8-11H2,1H3/t18-/m0/s1

InChI Key

FFIHAXVWQASGJN-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32257401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.241

Distribution Coefficient, logD

2.241

Water Solubility, LogSw

-2.24

Polar Surface Area

66.511

Acid Dissociation Constant (pKa)

24.40

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

SC39-0081 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 SC39-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC39-0081?
Check Price and Availability of SC39-0081, 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 SC39-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC39-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC39-0081
  • 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 SC39-0081 available by request