SC39-0011 Screening compound: [3-fluoro-3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl](5-methyl-3-isoxazolyl)methanone

SC39-0011 Screening compound: [3-fluoro-3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl](5-methyl-3-isoxazolyl)methanone
SC39-0011 Screening compound: [3-fluoro-3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl](5-methyl-3-isoxazolyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC39-0011
[3-fluoro-3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl](5-methyl-3-isoxazolyl)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

SC39-0011

Molecular Formula

C16H19FN4O4 (C16 H19 FN4 O4)

Compound Name

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

IUPAC name

5-[3-fluoro-1-(5-methyl-12-oxazole-3-carbonyl)pyrrolidin-3-yl]-3-(oxan-4-yl)-124-oxadiazole

SMILES

Cc1cc(C(N(CC2)CC2(c2nc(C3CCOCC3)no2)F)=O)no1

InChI

InChI=1S/C16H19FN4O4/c1-10-8-12(19-24-10)14(22)21-5-4-16(17,9-21)15-18-13(20-25-15)11-2-6-23-7-3-11/h8,11H,2-7,9H2,1H3/t16-/m0/s1

InChI Key

UMAYUQHAHHFQOX-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32258831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.186

Distribution Coefficient, logD

2.186

Water Solubility, LogSw

-2.25

Polar Surface Area

77.921

Acid Dissociation Constant (pKa)

26.56

Base Dissociation Constant (pKb)

-5.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

SC39-0011 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 SC39-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC39-0011?
Check Price and Availability of SC39-0011, 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 SC39-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC39-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC39-0011
  • 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 SC39-0011 available by request