SC41-0185 Screening compound: 1-{3-fluoro-3-[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]-1-pyrrolidinyl}-4-methyl-1-pentanone

SC41-0185 Screening compound: 1-{3-fluoro-3-[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]-1-pyrrolidinyl}-4-methyl-1-pentanone
SC41-0185 Screening compound: 1-{3-fluoro-3-[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]-1-pyrrolidinyl}-4-methyl-1-pentanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC41-0185
1-{3-fluoro-3-[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]-1-pyrrolidinyl}-4-methyl-1-pentanone

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

SC41-0185

Molecular Formula

C17H21FN4O2 (C17 H21 FN4 O2)

Compound Name

1-{3-fluoro-3-[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]-1-pyrrolidinyl}-4-methyl-1-pentanone

IUPAC name

1-{3-fluoro-3-[5-(pyridin-4-yl)-124-oxadiazol-3-yl]pyrrolidin-1-yl}-4-methylpentan-1-one

SMILES

CC(C)CCC(N(CC1)CC1(c1noc(-c2ccncc2)n1)F)=O

InChI

InChI=1S/C17H21FN4O2/c1-12(2)3-4-14(23)22-10-7-17(18,11-22)16-20-15(24-21-16)13-5-8-19-9-6-13/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3/t17-/m0/s1

InChI Key

JOKQFOMXRMRCHP-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32259078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.752

Distribution Coefficient, logD

2.751

Water Solubility, LogSw

-2.58

Polar Surface Area

57.764

Acid Dissociation Constant (pKa)

23.61

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.94

SC41-0185 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SC41-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC41-0185?
Check Price and Availability of SC41-0185, 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 SC41-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC41-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC41-0185
  • 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 SC41-0185 available by request