K261-2521 Screening compound: 2-[2-(3,5-dimethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]-N~1~-propylacetamide

K261-2521 Screening compound: 2-[2-(3,5-dimethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]-N~1~-propylacetamide
K261-2521 Screening compound: 2-[2-(3,5-dimethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]-N~1~-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2521
2-[2-(3,5-dimethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]-N~1~-propylacetamide

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

K261-2521

Molecular Formula

C20H23N3O4S (C20 H23 N3 O4 S)

Compound Name

2-[2-(3,5-dimethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]-N~1~-propylacetamide

IUPAC name

2-[2-(35-dimethylphenyl)-113-trioxo-34-dihydro-2H-1lambda624-benzothiadiazin-4-yl]-N-propylacetamide

SMILES

CCCNC(CN(c(cccc1)c1S(N1c2cc(C)cc(C)c2)(=O)=O)C1=O)=O

InChI

InChI=1S/C20H23N3O4S/c1-4-9-21-19(24)13-22-17-7-5-6-8-18(17)28(26,27)23(20(22)25)16-11-14(2)10-15(3)12-16/h5-8,10-12H,4,9,13H2,1-3H3,(H,21,24)

InChI Key

XTQHCZKMFFMNNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15084952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.49

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

3.277

Distribution Coefficient, logD

3.277

Water Solubility, LogSw

-3.63

Polar Surface Area

71.327

Acid Dissociation Constant (pKa)

15.84

Base Dissociation Constant (pKb)

5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

K261-2521 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with K261-2521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2521?
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What is the minimum amount of K261-2521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2521
  • 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 K261-2521 available by request