K261-1976 Screening compound: 2-[(1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-phenylacetamide

K261-1976 Screening compound: 2-[(1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-phenylacetamide
K261-1976 Screening compound: 2-[(1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1976
2-[(1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-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

K261-1976

Molecular Formula

C18H19N3O3S2 (C18 H19 N3 O3 S2)

Compound Name

2-[(1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-phenylacetamide

IUPAC name

2-[(11-dioxo-4-propyl-4H-1lambda624-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide

SMILES

CCCN(c1c2cccc1)C(SCC(Nc1ccccc1)=O)=NS2(=O)=O

InChI

InChI=1S/C18H19N3O3S2/c1-2-12-21-15-10-6-7-11-16(15)26(23,24)20-18(21)25-13-17(22)19-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,19,22)

InChI Key

FNLMRLCZZIDVQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08140641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.208

Distribution Coefficient, logD

3.208

Water Solubility, LogSw

-3.60

Polar Surface Area

67.113

Acid Dissociation Constant (pKa)

12.93

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

K261-1976 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K261-1976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1976?
Check Price and Availability of K261-1976, 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 K261-1976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1976
  • 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 K261-1976 available by request