K261-2325 Screening compound: N~1~-(sec-butyl)-2-[2-(4-ethoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide

K261-2325 Screening compound: N~1~-(sec-butyl)-2-[2-(4-ethoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide
K261-2325 Screening compound: N~1~-(sec-butyl)-2-[2-(4-ethoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2325
N~1~-(sec-butyl)-2-[2-(4-ethoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide

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

K261-2325

Molecular Formula

C21H25N3O5S (C21 H25 N3 O5 S)

Compound Name

N~1~-(sec-butyl)-2-[2-(4-ethoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide

IUPAC name

N-(butan-2-yl)-2-[2-(4-ethoxyphenyl)-113-trioxo-34-dihydro-2H-1lambda624-benzothiadiazin-4-yl]acetamide

SMILES

CCC(C)NC(CN(c(cccc1)c1S(N1c(cc2)ccc2OCC)(=O)=O)C1=O)=O

InChI

InChI=1S/C21H25N3O5S/c1-4-15(3)22-20(25)14-23-18-8-6-7-9-19(18)30(27,28)24(21(23)26)16-10-12-17(13-11-16)29-5-2/h6-13,15H,4-5,14H2,1-3H3,(H,22,25)/t15-/m0/s1

InChI Key

LZEDDXPEHDHUNE-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD15084876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.080

Distribution Coefficient, logD

3.080

Water Solubility, LogSw

-3.60

Polar Surface Area

78.051

Acid Dissociation Constant (pKa)

16.07

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

K261-2325 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K261-2325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2325?
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What is the minimum amount of K261-2325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2325
  • 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 K261-2325 available by request