S579-0115 Screening compound: N-ETHYL-N-[(1-ETHYL-1H-PYRAZOL-4-YL)METHYL]-2-(2-OXO-2,4,5,6,7,7A-HEXAHYDRO-1H-INDOL-3-YL)ACETAMIDE

S579-0115 Screening compound: N-ETHYL-N-[(1-ETHYL-1H-PYRAZOL-4-YL)METHYL]-2-(2-OXO-2,4,5,6,7,7A-HEXAHYDRO-1H-INDOL-3-YL)ACETAMIDE
S579-0115 Screening compound: N-ETHYL-N-[(1-ETHYL-1H-PYRAZOL-4-YL)METHYL]-2-(2-OXO-2,4,5,6,7,7A-HEXAHYDRO-1H-INDOL-3-YL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S579-0115
N-ETHYL-N-[(1-ETHYL-1H-PYRAZOL-4-YL)METHYL]-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

S579-0115

Molecular Formula

C18H26N4O2 (C18 H26 N4 O2)

Compound Name

N-ETHYL-N-[(1-ETHYL-1H-PYRAZOL-4-YL)METHYL]-2-(2-OXO-2,4,5,6,7,7A-HEXAHYDRO-1H-INDOL-3-YL)ACETAMIDE

IUPAC name

n/a

SMILES

CCN(Cc1cn(CC)nc1)C(CC1=C(CCCC2)C2NC1=O)=O

InChI

InChI=1S/C18H26N4O2/c1-3-21(11-13-10-19-22(4-2)12-13)17(23)9-15-14-7-5-6-8-16(14)20-18(15)24/h10,12,16H,3-9,11H2,1-2H3,(H,20,24)/t16-/m1/s1

InChI Key

XGBVYJYWAIRZLK-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD30460267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.947

Distribution Coefficient, logD

0.947

Water Solubility, LogSw

-1.55

Polar Surface Area

56.194

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

9.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.10

S579-0115 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 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

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S579-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S579-0115?
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What is the minimum amount of S579-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S579-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S579-0115
  • 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 S579-0115 available by request