K261-1429 Screening compound: 2-cyanobenzyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate

K261-1429 Screening compound: 2-cyanobenzyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate
K261-1429 Screening compound: 2-cyanobenzyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1429
2-cyanobenzyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate

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

K261-1429

Molecular Formula

C19H17N3O4S (C19 H17 N3 O4 S)

Compound Name

2-cyanobenzyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate

IUPAC name

(2-cyanophenyl)methyl 4-(11-dioxo-2H-1lambda624-benzothiadiazin-3-yl)butanoate

SMILES

N#Cc1c(COC(CCCC(N2)=Nc(cccc3)c3S2(=O)=O)=O)cccc1

InChI

InChI=1S/C19H17N3O4S/c20-12-14-6-1-2-7-15(14)13-26-19(23)11-5-10-18-21-16-8-3-4-9-17(16)27(24,25)22-18/h1-4,6-9H,5,10-11,13H2,(H,21,22)

InChI Key

JODHVOZIKQSWHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15084446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.43

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

1.830

Distribution Coefficient, logD

1.504

Water Solubility, LogSw

-2.68

Polar Surface Area

88.215

Acid Dissociation Constant (pKa)

7.35

Base Dissociation Constant (pKb)

5.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

K261-1429 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K261-1429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1429?
Check Price and Availability of K261-1429, 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 K261-1429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1429
  • 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 K261-1429 available by request