K261-1440 Screening compound: 2-(3,5-dimethoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate

K261-1440 Screening compound: 2-(3,5-dimethoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate
K261-1440 Screening compound: 2-(3,5-dimethoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1440
2-(3,5-dimethoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate

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

K261-1440

Molecular Formula

C21H23N3O7S (C21 H23 N3 O7 S)

Compound Name

2-(3,5-dimethoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate

IUPAC name

[(35-dimethoxyphenyl)carbamoyl]methyl 4-(11-dioxo-4H-1lambda624-benzothiadiazin-3-yl)butanoate

SMILES

COc1cc(NC(COC(CCCC(Nc2c3cccc2)=NS3(=O)=O)=O)=O)cc(OC)c1

InChI

InChI=1S/C21H23N3O7S/c1-29-15-10-14(11-16(12-15)30-2)22-20(25)13-31-21(26)9-5-8-19-23-17-6-3-4-7-18(17)32(27,28)24-19/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3,(H,22,25)(H,23,24)

InChI Key

RGWLSNCEVNFHOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.5

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.921

Distribution Coefficient, logD

1.921

Water Solubility, LogSw

-2.77

Polar Surface Area

111.876

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

K261-1440 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K261-1440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1440?
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What is the minimum amount of K261-1440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1440
  • 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 K261-1440 available by request