K261-2976 Screening compound: 2-[(4-benzyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-(3-chloro-4-methylphenyl)acetamide

K261-2976 Screening compound: 2-[(4-benzyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-(3-chloro-4-methylphenyl)acetamide
K261-2976 Screening compound: 2-[(4-benzyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-(3-chloro-4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2976
2-[(4-benzyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-(3-chloro-4-methylphenyl)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

K261-2976

Molecular Formula

C23H20ClN3O3S2 (C23 H20 ClN3 O3 S2)

Compound Name

2-[(4-benzyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-(3-chloro-4-methylphenyl)acetamide

IUPAC name

2-[(4-benzyl-11-dioxo-4H-1lambda624-benzothiadiazin-3-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide

SMILES

Cc(ccc(NC(CSC(N(Cc1ccccc1)c1c2cccc1)=NS2(=O)=O)=O)c1)c1Cl

InChI

InChI=1S/C23H20ClN3O3S2/c1-16-11-12-18(13-19(16)24)25-22(28)15-31-23-26-32(29,30)21-10-6-5-9-20(21)27(23)14-17-7-3-2-4-8-17/h2-13H,14-15H2,1H3,(H,25,28)

InChI Key

MIEPRLIPHVCIPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.01

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.602

Distribution Coefficient, logD

5.602

Water Solubility, LogSw

-5.79

Polar Surface Area

66.863

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with K261-2976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2976?
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What is the minimum amount of K261-2976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2976
  • 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 K261-2976 available by request