K261-2708 Screening compound: N~1~-(sec-butyl)-2-[2-(2,4-dimethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide

K261-2708 Screening compound: N~1~-(sec-butyl)-2-[2-(2,4-dimethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide
K261-2708 Screening compound: N~1~-(sec-butyl)-2-[2-(2,4-dimethylphenyl)-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 K261-2708
N~1~-(sec-butyl)-2-[2-(2,4-dimethylphenyl)-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

K261-2708

Molecular Formula

C21H25N3O4S (C21 H25 N3 O4 S)

Compound Name

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

IUPAC name

N-(butan-2-yl)-2-[2-(24-dimethylphenyl)-113-trioxo-34-dihydro-2H-1lambda624-benzothiadiazin-4-yl]acetamide

SMILES

CCC(C)NC(CN(c(cccc1)c1S(N1c2c(C)cc(C)cc2)(=O)=O)C1=O)=O

InChI

InChI=1S/C21H25N3O4S/c1-5-16(4)22-20(25)13-23-18-8-6-7-9-19(18)29(27,28)24(21(23)26)17-11-10-14(2)12-15(17)3/h6-12,16H,5,13H2,1-4H3,(H,22,25)/t16-/m0/s1

InChI Key

HATIAHHWGCVKSJ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15085027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.51

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

3.794

Distribution Coefficient, logD

3.794

Water Solubility, LogSw

-3.82

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

33.30

K261-2708 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 K261-2708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2708?
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What is the minimum amount of K261-2708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2708
  • 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 K261-2708 available by request