S826-4313 Screening compound: 5-{1-[(4-fluoro-3-methoxyphenyl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl}-3-methyl-1,2,4-oxadiazole

S826-4313 Screening compound: 5-{1-[(4-fluoro-3-methoxyphenyl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl}-3-methyl-1,2,4-oxadiazole
S826-4313 Screening compound: 5-{1-[(4-fluoro-3-methoxyphenyl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl}-3-methyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S826-4313
5-{1-[(4-fluoro-3-methoxyphenyl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl}-3-methyl-1,2,4-oxadiazole

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

S826-4313

Molecular Formula

C17H22FN3O3 (C17 H22 FN3 O3)

Compound Name

5-{1-[(4-fluoro-3-methoxyphenyl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl}-3-methyl-1,2,4-oxadiazole

IUPAC name

5-[(3S4S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]-3-methyl-124-oxadiazole

SMILES

Cc1noc([C@@H]2[C@@H](COC)CN(Cc(cc3)cc(OC)c3F)C2)n1

InChI

InChI=1S/C17H22FN3O3/c1-11-19-17(24-20-11)14-9-21(8-13(14)10-22-2)7-12-4-5-15(18)16(6-12)23-3/h4-6,13-14H,7-10H2,1-3H3/t13-,14+/m0/s1

InChI Key

VZHJXMJFABKARO-UONOGXRCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.38

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

2.202

Distribution Coefficient, logD

-1.062

Water Solubility, LogSw

-2.67

Polar Surface Area

51.548

Acid Dissociation Constant (pKa)

23.53

Base Dissociation Constant (pKb)

10.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.94

S826-4313 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with S826-4313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S826-4313?
Check Price and Availability of S826-4313, 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 S826-4313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S826-4313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S826-4313
  • 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 S826-4313 available by request