S720-0058 Screening compound: (2,4-dimethyl-1,3-thiazol-5-yl)[(2S,4S)-2-(morpholinocarbonyl)-4-phenoxytetrahydro-1H-pyrrol-1-yl]methanone

S720-0058 Screening compound: (2,4-dimethyl-1,3-thiazol-5-yl)[(2S,4S)-2-(morpholinocarbonyl)-4-phenoxytetrahydro-1H-pyrrol-1-yl]methanone
S720-0058 Screening compound: (2,4-dimethyl-1,3-thiazol-5-yl)[(2S,4S)-2-(morpholinocarbonyl)-4-phenoxytetrahydro-1H-pyrrol-1-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S720-0058
(2,4-dimethyl-1,3-thiazol-5-yl)[(2S,4S)-2-(morpholinocarbonyl)-4-phenoxytetrahydro-1H-pyrrol-1-yl]methanone

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

S720-0058

Molecular Formula

C21H25N3O4S (C21 H25 N3 O4 S)

Compound Name

(2,4-dimethyl-1,3-thiazol-5-yl)[(2S,4S)-2-(morpholinocarbonyl)-4-phenoxytetrahydro-1H-pyrrol-1-yl]methanone

IUPAC name

n/a

SMILES

Cc1c(C(N(C[C@H](C2)Oc3ccccc3)[C@@H]2C(N2CCOCC2)=O)=O)sc(C)n1

InChI

InChI=1S/C21H25N3O4S/c1-14-19(29-15(2)22-14)21(26)24-13-17(28-16-6-4-3-5-7-16)12-18(24)20(25)23-8-10-27-11-9-23/h3-7,17-18H,8-13H2,1-2H3/t17-,18+/m1/s1

InChI Key

MJFAJSAEUNRHNN-MSOLQXFVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.090

Distribution Coefficient, logD

2.090

Water Solubility, LogSw

-2.45

Polar Surface Area

58.087

Acid Dissociation Constant (pKa)

18.70

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.60

S720-0058 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with S720-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S720-0058?
Check Price and Availability of S720-0058, 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 S720-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S720-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S720-0058
  • 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 S720-0058 available by request