K261-2306 Screening compound: 2-{1-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)methyl]cyclopentyl}-N~1~-(4-ethylphenyl)acetamide

K261-2306 Screening compound: 2-{1-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)methyl]cyclopentyl}-N~1~-(4-ethylphenyl)acetamide
K261-2306 Screening compound: 2-{1-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)methyl]cyclopentyl}-N~1~-(4-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2306
2-{1-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)methyl]cyclopentyl}-N~1~-(4-ethylphenyl)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

K261-2306

Molecular Formula

C23H27N3O3S (C23 H27 N3 O3 S)

Compound Name

2-{1-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)methyl]cyclopentyl}-N~1~-(4-ethylphenyl)acetamide

IUPAC name

2-{1-[(11-dioxo-2H-1lambda624-benzothiadiazin-3-yl)methyl]cyclopentyl}-N-(4-ethylphenyl)acetamide

SMILES

CCc(cc1)ccc1NC(CC1(CC(N2)=Nc(cccc3)c3S2(=O)=O)CCCC1)=O

InChI

InChI=1S/C23H27N3O3S/c1-2-17-9-11-18(12-10-17)24-22(27)16-23(13-5-6-14-23)15-21-25-19-7-3-4-8-20(19)30(28,29)26-21/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,24,27)(H,25,26)

InChI Key

NJQDUYSUSWHBTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15084868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.722

Distribution Coefficient, logD

3.148

Water Solubility, LogSw

-3.96

Polar Surface Area

74.060

Acid Dissociation Constant (pKa)

6.96

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

K261-2306 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with K261-2306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2306?
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What is the minimum amount of K261-2306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2306
  • 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 K261-2306 available by request