K261-1467 Screening compound: 2-(3-chloro-4-fluoroanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoate

K261-1467 Screening compound: 2-(3-chloro-4-fluoroanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoate
K261-1467 Screening compound: 2-(3-chloro-4-fluoroanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1467
2-(3-chloro-4-fluoroanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoate

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

K261-1467

Molecular Formula

C21H21ClFN3O5S (C21 H21 ClFN3 O5 S)

Compound Name

2-(3-chloro-4-fluoroanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoate

IUPAC name

[(3-chloro-4-fluorophenyl)carbamoyl]methyl 4-(11-dioxo-2H-1lambda624-benzothiadiazin-3-yl)-33-dimethylbutanoate

SMILES

CC(C)(CC(OCC(Nc(cc1)cc(Cl)c1F)=O)=O)CC(N1)=Nc(cccc2)c2S1(=O)=O

InChI

InChI=1S/C21H21ClFN3O5S/c1-21(2,10-18-25-16-5-3-4-6-17(16)32(29,30)26-18)11-20(28)31-12-19(27)24-13-7-8-15(23)14(22)9-13/h3-9H,10-12H2,1-2H3,(H,24,27)(H,25,26)

InChI Key

DCTCZUIUQOGWDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15084454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.93

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.035

Distribution Coefficient, logD

2.460

Water Solubility, LogSw

-3.45

Polar Surface Area

94.308

Acid Dissociation Constant (pKa)

6.96

Base Dissociation Constant (pKb)

5.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

K261-1467 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K261-1467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1467?
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What is the minimum amount of K261-1467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1467
  • 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 K261-1467 available by request