K261-2586 Screening compound: N~1~-(sec-butyl)-2-[2-(5-chloro-2-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide

K261-2586 Screening compound: N~1~-(sec-butyl)-2-[2-(5-chloro-2-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide
K261-2586 Screening compound: N~1~-(sec-butyl)-2-[2-(5-chloro-2-methylphenyl)-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 K261-2586
N~1~-(sec-butyl)-2-[2-(5-chloro-2-methylphenyl)-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

K261-2586

Molecular Formula

C20H22ClN3O4S (C20 H22 ClN3 O4 S)

Compound Name

N~1~-(sec-butyl)-2-[2-(5-chloro-2-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide

IUPAC name

N-(butan-2-yl)-2-[2-(5-chloro-2-methylphenyl)-113-trioxo-34-dihydro-2H-1lambda624-benzothiadiazin-4-yl]acetamide

SMILES

CCC(C)NC(CN(c(cccc1)c1S(N1c2c(C)ccc(Cl)c2)(=O)=O)C1=O)=O

InChI

InChI=1S/C20H22ClN3O4S/c1-4-14(3)22-19(25)12-23-16-7-5-6-8-18(16)29(27,28)24(20(23)26)17-11-15(21)10-9-13(17)2/h5-11,14H,4,12H2,1-3H3,(H,22,25)/t14-/m0/s1

InChI Key

XDIJYNUNTAMKOE-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD15084990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.778

Distribution Coefficient, logD

3.778

Water Solubility, LogSw

-4.14

Polar Surface Area

70.626

Acid Dissociation Constant (pKa)

16.07

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

K261-2586 in Drug Discovery

Included in Screening Libraries

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

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 K261-2586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2586?
Check Price and Availability of K261-2586, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K261-2586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2586
  • 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 K261-2586 available by request