8018-3617 Screening compound: 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-propylacetamide

8018-3617 Screening compound: 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-propylacetamide
8018-3617 Screening compound: 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3617
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-propylacetamide

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

8018-3617

Molecular Formula

C14H16N2O2 (C14 H16 N2 O2)

Compound Name

2-(2-methyl-1H-indol-3-yl)-2-oxo-N-propylacetamide

IUPAC name

2-(2-methyl-1H-indol-3-yl)-2-oxo-N-propylacetamide

SMILES

CCCNC(C(c1c(C)[nH]c2c1cccc2)=O)=O

InChI

InChI=1S/C14H16N2O2/c1-3-8-15-14(18)13(17)12-9(2)16-11-7-5-4-6-10(11)12/h4-7,16H,3,8H2,1-2H3,(H,15,18)

InChI Key

IAFDBWZFYUNFEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05714547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.161

Distribution Coefficient, logD

2.161

Water Solubility, LogSw

-2.68

Polar Surface Area

48.429

Acid Dissociation Constant (pKa)

12.93

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8018-3617 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8018-3617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3617?
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What is the minimum amount of 8018-3617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3617
  • 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 8018-3617 available by request