SC39-0027 Screening compound: (2,4-difluorophenyl)[3-fluoro-3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]methanone

SC39-0027 Screening compound: (2,4-difluorophenyl)[3-fluoro-3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]methanone
SC39-0027 Screening compound: (2,4-difluorophenyl)[3-fluoro-3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC39-0027
(2,4-difluorophenyl)[3-fluoro-3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]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

SC39-0027

Molecular Formula

C18H18F3N3O3 (C18 H18 F3 N3 O3)

Compound Name

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

IUPAC name

5-[1-(24-difluorobenzoyl)-3-fluoropyrrolidin-3-yl]-3-(oxan-4-yl)-124-oxadiazole

SMILES

O=C(c(ccc(F)c1)c1F)N(CC1)CC1(c1nc(C2CCOCC2)no1)F

InChI

InChI=1S/C18H18F3N3O3/c19-12-1-2-13(14(20)9-12)16(25)24-6-5-18(21,10-24)17-22-15(23-27-17)11-3-7-26-8-4-11/h1-2,9,11H,3-8,10H2/t18-/m0/s1

InChI Key

WHHQUMRXZMPBNU-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32258950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.075

Distribution Coefficient, logD

3.075

Water Solubility, LogSw

-3.22

Polar Surface Area

56.693

Acid Dissociation Constant (pKa)

26.56

Base Dissociation Constant (pKb)

-5.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SC39-0027 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Lipid Metabolism Library (9174 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with SC39-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC39-0027?
Check Price and Availability of SC39-0027, 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 SC39-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC39-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC39-0027
  • 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 SC39-0027 available by request