K261-2101 Screening compound: methyl 4-methoxy-3-{[2-(4-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzoate

K261-2101 Screening compound: methyl 4-methoxy-3-{[2-(4-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzoate
K261-2101 Screening compound: methyl 4-methoxy-3-{[2-(4-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2101
methyl 4-methoxy-3-{[2-(4-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzoate

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

K261-2101

Molecular Formula

C24H22N2O6S (C24 H22 N2 O6 S)

Compound Name

methyl 4-methoxy-3-{[2-(4-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzoate

IUPAC name

methyl 4-methoxy-3-{[2-(4-methylphenyl)-113-trioxo-34-dihydro-2H-1lambda624-benzothiadiazin-4-yl]methyl}benzoate

SMILES

Cc(cc1)ccc1N(C(N(Cc(cc(cc1)C(OC)=O)c1OC)c1c2cccc1)=O)S2(=O)=O

InChI

InChI=1S/C24H22N2O6S/c1-16-8-11-19(12-9-16)26-24(28)25(20-6-4-5-7-22(20)33(26,29)30)15-18-14-17(23(27)32-3)10-13-21(18)31-2/h4-14H,15H2,1-3H3

InChI Key

DTWWIUSFIFXOGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15084764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.707

Distribution Coefficient, logD

4.707

Water Solubility, LogSw

-4.46

Polar Surface Area

75.547

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

-11.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with K261-2101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2101?
Check Price and Availability of K261-2101, 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 K261-2101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2101
  • 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 K261-2101 available by request