K906-6137 Screening compound: 3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-ethoxyphenyl)propanamide

K906-6137 Screening compound: 3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-ethoxyphenyl)propanamide
K906-6137 Screening compound: 3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-ethoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-6137
3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-ethoxyphenyl)propanamide

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

K906-6137

Molecular Formula

C17H17N3O4S2 (C17 H17 N3 O4 S2)

Compound Name

3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-ethoxyphenyl)propanamide

IUPAC name

3-(213-benzothiadiazole-4-sulfonyl)-N-(4-ethoxyphenyl)propanamide

SMILES

CCOc(cc1)ccc1NC(CCS(c1cccc2nsnc12)(=O)=O)=O

InChI

InChI=1S/C17H17N3O4S2/c1-2-24-13-8-6-12(7-9-13)18-16(21)10-11-26(22,23)15-5-3-4-14-17(15)20-25-19-14/h3-9H,2,10-11H2,1H3,(H,18,21)

InChI Key

FKJGCLVAPFOYLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.830

Distribution Coefficient, logD

2.830

Water Solubility, LogSw

-3.49

Polar Surface Area

80.229

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

K906-6137 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with K906-6137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-6137?
Check Price and Availability of K906-6137, 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 K906-6137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-6137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-6137
  • 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 K906-6137 available by request