5414-0129 Screening compound: (E)-N-[3-methyl-1-(1-methyl-1H-indol-3-yl)butylidene]hydroxylamine

5414-0129 Screening compound: (E)-N-[3-methyl-1-(1-methyl-1H-indol-3-yl)butylidene]hydroxylamine
5414-0129 Screening compound: (E)-N-[3-methyl-1-(1-methyl-1H-indol-3-yl)butylidene]hydroxylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5414-0129
(E)-N-[3-methyl-1-(1-methyl-1H-indol-3-yl)butylidene]hydroxylamine

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

5414-0129

Molecular Formula

C14H18N2O (C14 H18 N2 O)

Compound Name

(E)-N-[3-methyl-1-(1-methyl-1H-indol-3-yl)butylidene]hydroxylamine

IUPAC name

(E)-N-[3-methyl-1-(1-methyl-1H-indol-3-yl)butylidene]hydroxylamine

SMILES

CC(C)C/C(/c1cn(C)c2c1cccc2)=N\O

InChI

InChI=1S/C14H18N2O/c1-10(2)8-13(15-17)12-9-16(3)14-7-5-4-6-11(12)14/h4-7,9-10,17H,8H2,1-3H3

InChI Key

OWQGBCNJLLEPCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00540073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

230.31

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.161

Distribution Coefficient, logD

3.156

Water Solubility, LogSw

-3.07

Polar Surface Area

32.302

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

5414-0129 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5414-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5414-0129?
Check Price and Availability of 5414-0129, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5414-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5414-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5414-0129
  • 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 5414-0129 available by request