K261-2433 Screening compound: 2-[2-(3-fluoro-4-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]-N~1~-isopentylacetamide

K261-2433 Screening compound: 2-[2-(3-fluoro-4-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]-N~1~-isopentylacetamide
K261-2433 Screening compound: 2-[2-(3-fluoro-4-methylphenyl)-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 K261-2433
2-[2-(3-fluoro-4-methylphenyl)-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

K261-2433

Molecular Formula

C21H24FN3O4S (C21 H24 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCNC(CN(c(cccc1)c1S(N1c2cc(F)c(C)cc2)(=O)=O)C1=O)=O

InChI

InChI=1S/C21H24FN3O4S/c1-14(2)10-11-23-20(26)13-24-18-6-4-5-7-19(18)30(28,29)25(21(24)27)16-9-8-15(3)17(22)12-16/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,26)

InChI Key

QKGVSDOBMSIKLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15084921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.5

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

3.745

Distribution Coefficient, logD

3.745

Water Solubility, LogSw

-3.90

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

33.30

References: we are preparing a list of scientific research reports with K261-2433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2433?
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What is the minimum amount of K261-2433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2433
  • 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 K261-2433 available by request