K788-4854 Screening compound: 1-[(3-methylphenyl)methyl]-1H-indole-3-carbaldehyde

K788-4854 Screening compound: 1-[(3-methylphenyl)methyl]-1H-indole-3-carbaldehyde
K788-4854 Screening compound: 1-[(3-methylphenyl)methyl]-1H-indole-3-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-4854
1-[(3-methylphenyl)methyl]-1H-indole-3-carbaldehyde

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

K788-4854

Molecular Formula

C17H15NO (C17 H15 NO)

Compound Name

1-[(3-methylphenyl)methyl]-1H-indole-3-carbaldehyde

IUPAC name

1-[(3-methylphenyl)methyl]-1H-indole-3-carbaldehyde

SMILES

Cc1cccc(Cn2c(cccc3)c3c(C=O)c2)c1

InChI

InChI=1S/C17H15NO/c1-13-5-4-6-14(9-13)10-18-11-15(12-19)16-7-2-3-8-17(16)18/h2-9,11-12H,10H2,1H3

InChI Key

GRXZPUPSNRQSLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02617077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.31

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.958

Distribution Coefficient, logD

3.958

Water Solubility, LogSw

-3.98

Polar Surface Area

16.130

Acid Dissociation Constant (pKa)

27.27

Base Dissociation Constant (pKb)

-3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

K788-4854 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with K788-4854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-4854?
Check Price and Availability of K788-4854, 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 K788-4854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-4854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-4854
  • 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 K788-4854 available by request