S720-0944 Screening compound: 1-methyl-4-{[4-phenoxy-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-1H-imidazole

S720-0944 Screening compound: 1-methyl-4-{[4-phenoxy-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-1H-imidazole
S720-0944 Screening compound: 1-methyl-4-{[4-phenoxy-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S720-0944
1-methyl-4-{[4-phenoxy-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-1H-imidazole

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

S720-0944

Molecular Formula

C19H24N4O4S (C19 H24 N4 O4 S)

Compound Name

1-methyl-4-{[4-phenoxy-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-1H-imidazole

IUPAC name

1-methyl-4-{[(2S4S)-4-phenoxy-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-1H-imidazole

SMILES

Cn1cnc(S(N(C[C@H](C2)Oc3ccccc3)[C@@H]2C(N2CCCC2)=O)(=O)=O)c1

InChI

InChI=1S/C19H24N4O4S/c1-21-13-18(20-14-21)28(25,26)23-12-16(27-15-7-3-2-4-8-15)11-17(23)19(24)22-9-5-6-10-22/h2-4,7-8,13-14,16-17H,5-6,9-12H2,1H3/t16-,17+/m1/s1

InChI Key

FEAWPQMRFQJFRQ-SJORKVTESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.351

Distribution Coefficient, logD

1.351

Water Solubility, LogSw

-2.12

Polar Surface Area

68.407

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.37

S720-0944 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)

PPI Inhibitors Tripeptide Mimetics (23972 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
  • 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 S720-0944 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S720-0944?
Check Price and Availability of S720-0944, 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 S720-0944 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S720-0944
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S720-0944
  • 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 S720-0944 available by request