K261-2307 Screening compound: 2-{1-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)methyl]cyclopentyl}-N~1~-(2-methoxybenzyl)acetamide

K261-2307 Screening compound: 2-{1-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)methyl]cyclopentyl}-N~1~-(2-methoxybenzyl)acetamide
K261-2307 Screening compound: 2-{1-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)methyl]cyclopentyl}-N~1~-(2-methoxybenzyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2307
2-{1-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)methyl]cyclopentyl}-N~1~-(2-methoxybenzyl)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

K261-2307

Molecular Formula

C23H27N3O4S (C23 H27 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc1c(CNC(CC2(CC(N3)=Nc(cccc4)c4S3(=O)=O)CCCC2)=O)cccc1

InChI

InChI=1S/C23H27N3O4S/c1-30-19-10-4-2-8-17(19)16-24-22(27)15-23(12-6-7-13-23)14-21-25-18-9-3-5-11-20(18)31(28,29)26-21/h2-5,8-11H,6-7,12-16H2,1H3,(H,24,27)(H,25,26)

InChI Key

XFKBTUODLNJNEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15084869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.675

Distribution Coefficient, logD

2.101

Water Solubility, LogSw

-3.27

Polar Surface Area

83.013

Acid Dissociation Constant (pKa)

6.96

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

K261-2307 in Drug Discovery

Included in Screening Libraries

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 K261-2307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2307?
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What is the minimum amount of K261-2307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2307
  • 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 K261-2307 available by request