S579-0349 Screening compound: 2-(1-isopropyl-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl)-N~1~-methyl-N~1~-(3-pyridylmethyl)acetamide

S579-0349 Screening compound: 2-(1-isopropyl-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl)-N~1~-methyl-N~1~-(3-pyridylmethyl)acetamide
S579-0349 Screening compound: 2-(1-isopropyl-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl)-N~1~-methyl-N~1~-(3-pyridylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S579-0349
2-(1-isopropyl-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl)-N~1~-methyl-N~1~-(3-pyridylmethyl)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

S579-0349

Molecular Formula

C20H27N3O2 (C20 H27 N3 O2)

Compound Name

2-(1-isopropyl-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl)-N~1~-methyl-N~1~-(3-pyridylmethyl)acetamide

IUPAC name

n/a

SMILES

CC(C)N(C(CCCC1)C1=C1CC(N(C)Cc2cnccc2)=O)C1=O

InChI

InChI=1S/C20H27N3O2/c1-14(2)23-18-9-5-4-8-16(18)17(20(23)25)11-19(24)22(3)13-15-7-6-10-21-12-15/h6-7,10,12,14,18H,4-5,8-9,11,13H2,1-3H3/t18-/m1/s1

InChI Key

RVSZOCPOQZAFHP-GOSISDBHSA-N

MDL Number (MFCD)

MFCD29014992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.073

Distribution Coefficient, logD

2.072

Water Solubility, LogSw

-1.77

Polar Surface Area

41.386

Acid Dissociation Constant (pKa)

19.87

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

S579-0349 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 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 S579-0349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S579-0349?
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What is the minimum amount of S579-0349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S579-0349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S579-0349
  • 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 S579-0349 available by request