K261-1854 Screening compound: methyl 3-{[2-(2,5-dimethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}-4-methoxybenzoate

K261-1854 Screening compound: methyl 3-{[2-(2,5-dimethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}-4-methoxybenzoate
K261-1854 Screening compound: methyl 3-{[2-(2,5-dimethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}-4-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1854
methyl 3-{[2-(2,5-dimethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}-4-methoxybenzoate

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

K261-1854

Molecular Formula

C25H24N2O6S (C25 H24 N2 O6 S)

Compound Name

methyl 3-{[2-(2,5-dimethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}-4-methoxybenzoate

IUPAC name

methyl 3-{[2-(25-dimethylphenyl)-113-trioxo-34-dihydro-2H-1lambda624-benzothiadiazin-4-yl]methyl}-4-methoxybenzoate

SMILES

Cc1cc(N(C(N(Cc(cc(cc2)C(OC)=O)c2OC)c2c3cccc2)=O)S3(=O)=O)c(C)cc1

InChI

InChI=1S/C25H24N2O6S/c1-16-9-10-17(2)21(13-16)27-25(29)26(20-7-5-6-8-23(20)34(27,30)31)15-19-14-18(24(28)33-4)11-12-22(19)32-3/h5-14H,15H2,1-4H3

InChI Key

RROPDRWXFARZTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07656278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.54

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

5.226

Distribution Coefficient, logD

5.226

Water Solubility, LogSw

-5.05

Polar Surface Area

75.246

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

-11.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with K261-1854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1854?
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What is the minimum amount of K261-1854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1854
  • 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 K261-1854 available by request