S578-0747 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-methyl-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

S578-0747 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-methyl-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide
S578-0747 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-methyl-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S578-0747
1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-methyl-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

S578-0747

Molecular Formula

C17H17N5O4S2 (C17 H17 N5 O4 S2)

Compound Name

1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-methyl-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

IUPAC name

(2R4S)-1-(213-benzothiadiazole-4-sulfonyl)-N-methyl-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

SMILES

CNC([C@@H](C[C@@H](C1)Oc2cnccc2)N1S(c1cccc2nsnc12)(=O)=O)=O

InChI

InChI=1S/C17H17N5O4S2/c1-18-17(23)14-8-12(26-11-4-3-7-19-9-11)10-22(14)28(24,25)15-6-2-5-13-16(15)21-27-20-13/h2-7,9,12,14H,8,10H2,1H3,(H,18,23)/t12-,14-/m1/s1

InChI Key

AIAJRNMJSDARAI-TZMCWYRMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.882

Distribution Coefficient, logD

0.878

Water Solubility, LogSw

-1.61

Polar Surface Area

94.287

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.41

S578-0747 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 compounds)

KRAS-Targeted Library (16000 compounds)

Natural-Product-Based Library (3730 compounds)

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

Protein-Protein Interaction Library (218420 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
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Structure:
  • Pool
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S578-0747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S578-0747?
Check Price and Availability of S578-0747, 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 S578-0747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S578-0747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S578-0747
  • 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 S578-0747 available by request