K906-3813 Screening compound: 1-({5-[(E)-2-(DIMETHYLAMINO)-1-ETHENYL]-3-METHYL-4-ISOXAZOLYL}SULFONYL)-N-METHYL-4-PIPERIDINECARBOXAMIDE

K906-3813 Screening compound: 1-({5-[(E)-2-(DIMETHYLAMINO)-1-ETHENYL]-3-METHYL-4-ISOXAZOLYL}SULFONYL)-N-METHYL-4-PIPERIDINECARBOXAMIDE
K906-3813 Screening compound: 1-({5-[(E)-2-(DIMETHYLAMINO)-1-ETHENYL]-3-METHYL-4-ISOXAZOLYL}SULFONYL)-N-METHYL-4-PIPERIDINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-3813
1-({5-[(E)-2-(DIMETHYLAMINO)-1-ETHENYL]-3-METHYL-4-ISOXAZOLYL}SULFONYL)-N-METHYL-4-PIPERIDINECARBOXAMIDE

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

K906-3813

Molecular Formula

C15H24N4O4S (C15 H24 N4 O4 S)

Compound Name

1-({5-[(E)-2-(DIMETHYLAMINO)-1-ETHENYL]-3-METHYL-4-ISOXAZOLYL}SULFONYL)-N-METHYL-4-PIPERIDINECARBOXAMIDE

IUPAC name

n/a

SMILES

Cc1noc(/C=C/N(C)C)c1S(N(CC1)CCC1C(NC)=O)(=O)=O

InChI

InChI=1S/C15H24N4O4S/c1-11-14(13(23-17-11)7-8-18(3)4)24(21,22)19-9-5-12(6-10-19)15(20)16-2/h7-8,12H,5-6,9-10H2,1-4H3,(H,16,20)

InChI Key

CJYFVJFHTCQQSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.616

Distribution Coefficient, logD

-0.617

Water Solubility, LogSw

-1.48

Polar Surface Area

82.070

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.00

K906-3813 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K906-3813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-3813?
Check Price and Availability of K906-3813, 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 K906-3813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-3813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-3813
  • 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 K906-3813 available by request