SA58-0299 Screening compound: 3-(3-{2-[1-(5-fluoro-2-methoxybenzenesulfonyl)pyrrolidin-2-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine

SA58-0299 Screening compound: 3-(3-{2-[1-(5-fluoro-2-methoxybenzenesulfonyl)pyrrolidin-2-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine
SA58-0299 Screening compound: 3-(3-{2-[1-(5-fluoro-2-methoxybenzenesulfonyl)pyrrolidin-2-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA58-0299
3-(3-{2-[1-(5-fluoro-2-methoxybenzenesulfonyl)pyrrolidin-2-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine

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

SA58-0299

Molecular Formula

C20H21FN4O4S (C20 H21 FN4 O4 S)

Compound Name

3-(3-{2-[1-(5-fluoro-2-methoxybenzenesulfonyl)pyrrolidin-2-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine

IUPAC name

3-(3-{2-[1-(5-fluoro-2-methoxybenzenesulfonyl)pyrrolidin-2-yl]ethyl}-124-oxadiazol-5-yl)pyridine

SMILES

COc(ccc(F)c1)c1S(N1C(CCc2noc(-c3cnccc3)n2)CCC1)(=O)=O

InChI

InChI=1S/C20H21FN4O4S/c1-28-17-8-6-15(21)12-18(17)30(26,27)25-11-3-5-16(25)7-9-19-23-20(29-24-19)14-4-2-10-22-13-14/h2,4,6,8,10,12-13,16H,3,5,7,9,11H2,1H3/t16-/m1/s1

InChI Key

LZAJHHGOTURBPF-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32000261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.521

Distribution Coefficient, logD

2.428

Water Solubility, LogSw

-2.32

Polar Surface Area

82.283

Acid Dissociation Constant (pKa)

25.51

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

SA58-0299 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SA58-0299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA58-0299?
Check Price and Availability of SA58-0299, 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 SA58-0299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA58-0299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA58-0299
  • 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 SA58-0299 available by request