K261-1411 Screening compound: ethyl 2-[(2-{[4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoyl]oxy}acetyl)amino]benzoate

K261-1411 Screening compound: ethyl 2-[(2-{[4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoyl]oxy}acetyl)amino]benzoate
K261-1411 Screening compound: ethyl 2-[(2-{[4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoyl]oxy}acetyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1411
ethyl 2-[(2-{[4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoyl]oxy}acetyl)amino]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

K261-1411

Molecular Formula

C24H27N3O7S (C24 H27 N3 O7 S)

Compound Name

ethyl 2-[(2-{[4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoyl]oxy}acetyl)amino]benzoate

IUPAC name

ethyl 2-[2-({3-[(11-dioxo-2H-1lambda624-benzothiadiazin-3-yl)methyl]-3-methylbutanoyl}oxy)acetamido]benzoate

SMILES

CCOC(c(cccc1)c1NC(COC(CC(C)(C)CC(N1)=Nc(cccc2)c2S1(=O)=O)=O)=O)=O

InChI

InChI=1S/C24H27N3O7S/c1-4-33-23(30)16-9-5-6-10-17(16)26-21(28)15-34-22(29)14-24(2,3)13-20-25-18-11-7-8-12-19(18)35(31,32)27-20/h5-12H,4,13-15H2,1-3H3,(H,25,27)(H,26,28)

InChI Key

KTTAAYKJZXFXRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07654763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.56

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.573

Distribution Coefficient, logD

1.998

Water Solubility, LogSw

-3.17

Polar Surface Area

114.364

Acid Dissociation Constant (pKa)

6.96

Base Dissociation Constant (pKb)

5.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K261-1411 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K261-1411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1411?
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What is the minimum amount of K261-1411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1411
  • 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 K261-1411 available by request