K780-0098 Screening compound: 5-(morpholine-4-sulfonyl)-1H-indole-3-carbaldehyde

K780-0098 Screening compound: 5-(morpholine-4-sulfonyl)-1H-indole-3-carbaldehyde
K780-0098 Screening compound: 5-(morpholine-4-sulfonyl)-1H-indole-3-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound K780-0098
5-(morpholine-4-sulfonyl)-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

K780-0098

Molecular Formula

C13H14N2O4S (C13 H14 N2 O4 S)

Compound Name

5-(morpholine-4-sulfonyl)-1H-indole-3-carbaldehyde

IUPAC name

5-(morpholine-4-sulfonyl)-1H-indole-3-carbaldehyde

SMILES

O=Cc1c[nH]c(cc2)c1cc2S(N1CCOCC1)(=O)=O

InChI

InChI=1S/C13H14N2O4S/c16-9-10-8-14-13-2-1-11(7-12(10)13)20(17,18)15-3-5-19-6-4-15/h1-2,7-9,14H,3-6H2

InChI Key

SFWDZMXLECIUMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03830167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.100

Distribution Coefficient, logD

1.100

Water Solubility, LogSw

-2.39

Polar Surface Area

63.888

Acid Dissociation Constant (pKa)

16.94

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

K780-0098 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 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:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with K780-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K780-0098?
Check Price and Availability of K780-0098, 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 K780-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K780-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K780-0098
  • 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 K780-0098 available by request