K261-2467 Screening compound: 2-[2-(4-fluorophenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]-N~1~-isopentylacetamide

K261-2467 Screening compound: 2-[2-(4-fluorophenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]-N~1~-isopentylacetamide
K261-2467 Screening compound: 2-[2-(4-fluorophenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]-N~1~-isopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2467
2-[2-(4-fluorophenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]-N~1~-isopentylacetamide

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

K261-2467

Molecular Formula

C20H22FN3O4S (C20 H22 FN3 O4 S)

Compound Name

2-[2-(4-fluorophenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]-N~1~-isopentylacetamide

IUPAC name

2-[2-(4-fluorophenyl)-113-trioxo-34-dihydro-2H-1lambda624-benzothiadiazin-4-yl]-N-(3-methylbutyl)acetamide

SMILES

CC(C)CCNC(CN(c(cccc1)c1S(N1c(cc2)ccc2F)(=O)=O)C1=O)=O

InChI

InChI=1S/C20H22FN3O4S/c1-14(2)11-12-22-19(25)13-23-17-5-3-4-6-18(17)29(27,28)24(20(23)26)16-9-7-15(21)8-10-16/h3-10,14H,11-13H2,1-2H3,(H,22,25)

InChI Key

MNNJQFUJCJPBJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15084933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.135

Distribution Coefficient, logD

3.135

Water Solubility, LogSw

-3.55

Polar Surface Area

71.327

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with K261-2467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2467?
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What is the minimum amount of K261-2467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2467
  • 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 K261-2467 available by request