S721-1654 Screening compound: (2S,4S)-1-(METHYLSULFONYL)-4-(3-PYRIDYLOXY)-N-[2-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)ETHYL]TETRAHYDRO-1H-PYRROLE-2-CARBOXAMIDE

S721-1654 Screening compound: (2S,4S)-1-(METHYLSULFONYL)-4-(3-PYRIDYLOXY)-N-[2-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)ETHYL]TETRAHYDRO-1H-PYRROLE-2-CARBOXAMIDE
S721-1654 Screening compound: (2S,4S)-1-(METHYLSULFONYL)-4-(3-PYRIDYLOXY)-N-[2-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)ETHYL]TETRAHYDRO-1H-PYRROLE-2-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S721-1654
(2S,4S)-1-(METHYLSULFONYL)-4-(3-PYRIDYLOXY)-N-[2-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)ETHYL]TETRAHYDRO-1H-PYRROLE-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

S721-1654

Molecular Formula

C19H27N5O4S (C19 H27 N5 O4 S)

Compound Name

(2S,4S)-1-(METHYLSULFONYL)-4-(3-PYRIDYLOXY)-N-[2-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)ETHYL]TETRAHYDRO-1H-PYRROLE-2-CARBOXAMIDE

IUPAC name

(2S4S)-1-methanesulfonyl-4-(pyridin-3-yloxy)-N-[2-(135-trimethyl-1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide

SMILES

Cc1c(CCNC([C@H](C[C@@H](C2)Oc3cnccc3)N2S(C)(=O)=O)=O)c(C)nn1C

InChI

InChI=1S/C19H27N5O4S/c1-13-17(14(2)23(3)22-13)7-9-21-19(25)18-10-16(12-24(18)29(4,26)27)28-15-6-5-8-20-11-15/h5-6,8,11,16,18H,7,9-10,12H2,1-4H3,(H,21,25)/t16-,18+/m1/s1

InChI Key

SFIHJRYRHXRQIY-AEFFLSMTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.293

Distribution Coefficient, logD

-0.297

Water Solubility, LogSw

-1.41

Polar Surface Area

87.357

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.63

S721-1654 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S721-1654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S721-1654?
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What is the minimum amount of S721-1654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S721-1654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S721-1654
  • 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 S721-1654 available by request