S579-0252 Screening compound: N-ethyl-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-(1-methyl-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl)acetamide

S579-0252 Screening compound: N-ethyl-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-(1-methyl-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl)acetamide
S579-0252 Screening compound: N-ethyl-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-(1-methyl-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S579-0252
N-ethyl-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-(1-methyl-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl)acetamide

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

S579-0252

Molecular Formula

C19H28N4O2 (C19 H28 N4 O2)

Compound Name

N-ethyl-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-(1-methyl-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl)acetamide

IUPAC name

N-ethyl-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-(1-methyl-2-oxo-245677a-hexahydro-1H-indol-3-yl)acetamide

SMILES

CCN(Cc1cn(CC)nc1)C(CC1=C(CCCC2)C2N(C)C1=O)=O

InChI

InChI=1S/C19H28N4O2/c1-4-22(12-14-11-20-23(5-2)13-14)18(24)10-16-15-8-6-7-9-17(15)21(3)19(16)25/h11,13,17H,4-10,12H2,1-3H3/t17-/m1/s1

InChI Key

FNHMCADVCVARGZ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD31986153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.030

Distribution Coefficient, logD

1.030

Water Solubility, LogSw

-1.24

Polar Surface Area

46.200

Acid Dissociation Constant (pKa)

19.78

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

S579-0252 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S579-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S579-0252?
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What is the minimum amount of S579-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S579-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S579-0252
  • 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 S579-0252 available by request