K261-0772 Screening compound: 4-(2-methylbenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

K261-0772 Screening compound: 4-(2-methylbenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
K261-0772 Screening compound: 4-(2-methylbenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-0772
4-(2-methylbenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

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

K261-0772

Molecular Formula

C15H14N2O2S (C15 H14 N2 O2 S)

Compound Name

4-(2-methylbenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

IUPAC name

4-[(2-methylphenyl)methyl]-4H-1lambda624-benzothiadiazine-11-dione

SMILES

Cc1c(CN(C=N2)c(cccc3)c3S2(=O)=O)cccc1

InChI

InChI=1S/C15H14N2O2S/c1-12-6-2-3-7-13(12)10-17-11-16-20(18,19)15-9-5-4-8-14(15)17/h2-9,11H,10H2,1H3

InChI Key

VJFGPBSXPDETRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.133

Distribution Coefficient, logD

3.133

Water Solubility, LogSw

-3.26

Polar Surface Area

43.465

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

K261-0772 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with K261-0772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-0772?
Check Price and Availability of K261-0772, 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 K261-0772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-0772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-0772
  • 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 K261-0772 available by request