SC41-0139 Screening compound: 2-(1-azepanyl)-1-[3-fluoro-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1-pyrrolidinyl]-1-ethanone

SC41-0139 Screening compound: 2-(1-azepanyl)-1-[3-fluoro-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1-pyrrolidinyl]-1-ethanone
SC41-0139 Screening compound: 2-(1-azepanyl)-1-[3-fluoro-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1-pyrrolidinyl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC41-0139
2-(1-azepanyl)-1-[3-fluoro-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1-pyrrolidinyl]-1-ethanone

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

SC41-0139

Molecular Formula

C20H25FN4O2 (C20 H25 FN4 O2)

Compound Name

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

IUPAC name

2-(azepan-1-yl)-1-[3-fluoro-3-(5-phenyl-124-oxadiazol-3-yl)pyrrolidin-1-yl]ethan-1-one

SMILES

O=C(CN1CCCCCC1)N(CC1)CC1(c1noc(-c2ccccc2)n1)F

InChI

InChI=1S/C20H25FN4O2/c21-20(19-22-18(27-23-19)16-8-4-3-5-9-16)10-13-25(15-20)17(26)14-24-11-6-1-2-7-12-24/h3-5,8-9H,1-2,6-7,10-15H2/t20-/m0/s1

InChI Key

VMVFDMQWYFTHKB-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD32258834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.140

Distribution Coefficient, logD

2.453

Water Solubility, LogSw

-3.06

Polar Surface Area

52.400

Acid Dissociation Constant (pKa)

25.11

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

SC41-0139 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 SC41-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC41-0139?
Check Price and Availability of SC41-0139, 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 SC41-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC41-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC41-0139
  • 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 SC41-0139 available by request