S721-1201 Screening compound: N-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

S721-1201 Screening compound: N-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide
S721-1201 Screening compound: N-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S721-1201
N-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-(pyridin-3-yloxy)pyrrolidine-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

S721-1201

Molecular Formula

C21H23N3O6S (C21 H23 N3 O6 S)

Compound Name

N-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

IUPAC name

(2S4S)-N-cyclopropyl-1-(23-dihydro-14-benzodioxine-6-sulfonyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

SMILES

O=C([C@H](C[C@@H](C1)Oc2cnccc2)N1S(c(cc1)cc2c1OCCO2)(=O)=O)NC1CC1

InChI

InChI=1S/C21H23N3O6S/c25-21(23-14-3-4-14)18-10-16(30-15-2-1-7-22-12-15)13-24(18)31(26,27)17-5-6-19-20(11-17)29-9-8-28-19/h1-2,5-7,11-12,14,16,18H,3-4,8-10,13H2,(H,23,25)/t16-,18+/m1/s1

InChI Key

GUTQEFFLFMVXHX-AEFFLSMTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.790

Distribution Coefficient, logD

0.785

Water Solubility, LogSw

-1.99

Polar Surface Area

88.792

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.86

S721-1201 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 compounds)

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

Natural-Product-Based Library (3730 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool
  • Mimetics
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S721-1201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S721-1201?
Check Price and Availability of S721-1201, 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 S721-1201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S721-1201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S721-1201
  • 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 S721-1201 available by request