S720-2179 Screening compound: 1-[(5-methylthiophen-2-yl)methyl]-4-phenoxypyrrolidine-2-carboxamide

S720-2179 Screening compound: 1-[(5-methylthiophen-2-yl)methyl]-4-phenoxypyrrolidine-2-carboxamide
S720-2179 Screening compound: 1-[(5-methylthiophen-2-yl)methyl]-4-phenoxypyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S720-2179
1-[(5-methylthiophen-2-yl)methyl]-4-phenoxypyrrolidine-2-carboxamide

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

S720-2179

Molecular Formula

C17H20N2O2S (C17 H20 N2 O2 S)

Compound Name

1-[(5-methylthiophen-2-yl)methyl]-4-phenoxypyrrolidine-2-carboxamide

IUPAC name

(2S4S)-1-[(5-methylthiophen-2-yl)methyl]-4-phenoxypyrrolidine-2-carboxamide

SMILES

Cc1ccc(CN(C[C@H](C2)Oc3ccccc3)[C@@H]2C(N)=O)s1

InChI

InChI=1S/C17H20N2O2S/c1-12-7-8-15(22-12)11-19-10-14(9-16(19)17(18)20)21-13-5-3-2-4-6-13/h2-8,14,16H,9-11H2,1H3,(H2,18,20)/t14-,16+/m1/s1

InChI Key

AODNIVRVDYCBMD-ZBFHGGJFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.559

Distribution Coefficient, logD

2.556

Water Solubility, LogSw

-2.59

Polar Surface Area

45.469

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.29

S720-2179 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with S720-2179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S720-2179?
Check Price and Availability of S720-2179, 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 S720-2179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S720-2179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S720-2179
  • 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 S720-2179 available by request