K788-4271 Screening compound: 2-(3-formyl-1H-indol-1-yl)-N-methyl-N-phenylacetamide

K788-4271 Screening compound: 2-(3-formyl-1H-indol-1-yl)-N-methyl-N-phenylacetamide
K788-4271 Screening compound: 2-(3-formyl-1H-indol-1-yl)-N-methyl-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-4271
2-(3-formyl-1H-indol-1-yl)-N-methyl-N-phenylacetamide

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

K788-4271

Molecular Formula

C18H16N2O2 (C18 H16 N2 O2)

Compound Name

2-(3-formyl-1H-indol-1-yl)-N-methyl-N-phenylacetamide

IUPAC name

2-(3-formyl-1H-indol-1-yl)-N-methyl-N-phenylacetamide

SMILES

CN(C(Cn1c(cccc2)c2c(C=O)c1)=O)c1ccccc1

InChI

InChI=1S/C18H16N2O2/c1-19(15-7-3-2-4-8-15)18(22)12-20-11-14(13-21)16-9-5-6-10-17(16)20/h2-11,13H,12H2,1H3

InChI Key

MAZMVBWSSHMLCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03924534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.126

Distribution Coefficient, logD

2.126

Water Solubility, LogSw

-2.52

Polar Surface Area

31.243

Acid Dissociation Constant (pKa)

20.94

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

K788-4271 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with K788-4271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-4271?
Check Price and Availability of K788-4271, 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 K788-4271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-4271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-4271
  • 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 K788-4271 available by request