K261-2601 Screening compound: 2-(2-methylphenyl)-4-(4-nitrobenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-2601 Screening compound: 2-(2-methylphenyl)-4-(4-nitrobenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-2601 Screening compound: 2-(2-methylphenyl)-4-(4-nitrobenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2601
2-(2-methylphenyl)-4-(4-nitrobenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

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

K261-2601

Molecular Formula

C21H17N3O5S (C21 H17 N3 O5 S)

Compound Name

2-(2-methylphenyl)-4-(4-nitrobenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

IUPAC name

2-(2-methylphenyl)-4-[(4-nitrophenyl)methyl]-34-dihydro-2H-1lambda624-benzothiadiazine-113-trione

SMILES

Cc(cccc1)c1N(C(N(Cc(cc1)ccc1[N+]([O-])=O)c1c2cccc1)=O)S2(=O)=O

InChI

InChI=1S/C21H17N3O5S/c1-15-6-2-3-7-18(15)23-21(25)22(14-16-10-12-17(13-11-16)24(26)27)19-8-4-5-9-20(19)30(23,28)29/h2-13H,14H2,1H3

InChI Key

VQCORVGLGFAAFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15084995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.549

Distribution Coefficient, logD

4.549

Water Solubility, LogSw

-4.35

Polar Surface Area

79.823

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

-10.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

K261-2601 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K261-2601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2601?
Check Price and Availability of K261-2601, 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 K261-2601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2601
  • 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 K261-2601 available by request