S826-3731 Screening compound: [4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-{[2-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methanol

S826-3731 Screening compound: [4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-{[2-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methanol
S826-3731 Screening compound: [4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-{[2-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S826-3731
[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-{[2-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methanol

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

S826-3731

Molecular Formula

C16H18F3N3O2 (C16 H18 F3 N3 O2)

Compound Name

[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-{[2-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methanol

IUPAC name

[(3S4S)-4-(3-methyl-124-oxadiazol-5-yl)-1-{[2-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methanol

SMILES

Cc1noc([C@@H]2[C@@H](CO)CN(Cc3c(C(F)(F)F)cccc3)C2)n1

InChI

InChI=1S/C16H18F3N3O2/c1-10-20-15(24-21-10)13-8-22(7-12(13)9-23)6-11-4-2-3-5-14(11)16(17,18)19/h2-5,12-13,23H,6-9H2,1H3/t12-,13+/m0/s1

InChI Key

SQZCZIMJBACNFG-QWHCGFSZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.436

Distribution Coefficient, logD

0.777

Water Solubility, LogSw

-2.94

Polar Surface Area

52.609

Acid Dissociation Constant (pKa)

16.23

Base Dissociation Constant (pKb)

9.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with S826-3731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S826-3731?
Check Price and Availability of S826-3731, 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 S826-3731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S826-3731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S826-3731
  • 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 S826-3731 available by request