S579-0085 Screening compound: N-(3-methylbutyl)-2-(2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl)acetamide

S579-0085 Screening compound: N-(3-methylbutyl)-2-(2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl)acetamide
S579-0085 Screening compound: N-(3-methylbutyl)-2-(2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S579-0085
N-(3-methylbutyl)-2-(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

S579-0085

Molecular Formula

C15H24N2O2 (C15 H24 N2 O2)

Compound Name

N-(3-methylbutyl)-2-(2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl)acetamide

IUPAC name

N-(3-methylbutyl)-2-(2-oxo-245677a-hexahydro-1H-indol-3-yl)acetamide

SMILES

CC(C)CCNC(CC1=C(CCCC2)C2NC1=O)=O

InChI

InChI=1S/C15H24N2O2/c1-10(2)7-8-16-14(18)9-12-11-5-3-4-6-13(11)17-15(12)19/h10,13H,3-9H2,1-2H3,(H,16,18)(H,17,19)/t13-/m1/s1

InChI Key

GNYMKEJWRAJOOW-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD31984760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.657

Distribution Coefficient, logD

1.657

Water Solubility, LogSw

-1.76

Polar Surface Area

50.597

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.33

S579-0085 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 S579-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S579-0085?
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What is the minimum amount of S579-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S579-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S579-0085
  • 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 S579-0085 available by request