K261-2390 Screening compound: 2-[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-(3-phenylpropyl)acetamide

K261-2390 Screening compound: 2-[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-(3-phenylpropyl)acetamide
K261-2390 Screening compound: 2-[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-(3-phenylpropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2390
2-[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-(3-phenylpropyl)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

K261-2390

Molecular Formula

C22H27N3O3S2 (C22 H27 N3 O3 S2)

Compound Name

2-[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-(3-phenylpropyl)acetamide

IUPAC name

2-[(4-butyl-11-dioxo-4H-1lambda624-benzothiadiazin-3-yl)sulfanyl]-N-(3-phenylpropyl)acetamide

SMILES

CCCCN(c1c2cccc1)C(SCC(NCCCc1ccccc1)=O)=NS2(=O)=O

InChI

InChI=1S/C22H27N3O3S2/c1-2-3-16-25-19-13-7-8-14-20(19)30(27,28)24-22(25)29-17-21(26)23-15-9-12-18-10-5-4-6-11-18/h4-8,10-11,13-14H,2-3,9,12,15-17H2,1H3,(H,23,26)

InChI Key

KATLTUABKBVELN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08569272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.306

Distribution Coefficient, logD

4.306

Water Solubility, LogSw

-3.98

Polar Surface Area

68.276

Acid Dissociation Constant (pKa)

15.14

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

K261-2390 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K261-2390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2390?
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What is the minimum amount of K261-2390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2390
  • 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 K261-2390 available by request