K261-2537 Screening compound: 2-[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-[3-(trifluoromethyl)phenyl]acetamide

K261-2537 Screening compound: 2-[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-[3-(trifluoromethyl)phenyl]acetamide
K261-2537 Screening compound: 2-[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2537
2-[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-[3-(trifluoromethyl)phenyl]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

K261-2537

Molecular Formula

C20H20F3N3O3S2 (C20 H20 F3 N3 O3 S2)

Compound Name

2-[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-[(4-butyl-11-dioxo-4H-1lambda624-benzothiadiazin-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

CCCCN(c1c2cccc1)C(SCC(Nc1cc(C(F)(F)F)ccc1)=O)=NS2(=O)=O

InChI

InChI=1S/C20H20F3N3O3S2/c1-2-3-11-26-16-9-4-5-10-17(16)31(28,29)25-19(26)30-13-18(27)24-15-8-6-7-14(12-15)20(21,22)23/h4-10,12H,2-3,11,13H2,1H3,(H,24,27)

InChI Key

QVHNVTOAGQHDPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15084961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.917

Distribution Coefficient, logD

4.917

Water Solubility, LogSw

-4.47

Polar Surface Area

67.113

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with K261-2537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2537?
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What is the minimum amount of K261-2537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2537
  • 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 K261-2537 available by request