K261-2553 Screening compound: N~1~-(3-chloro-2-methylphenyl)-2-[(1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide

K261-2553 Screening compound: N~1~-(3-chloro-2-methylphenyl)-2-[(1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
K261-2553 Screening compound: N~1~-(3-chloro-2-methylphenyl)-2-[(1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2553
N~1~-(3-chloro-2-methylphenyl)-2-[(1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]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

K261-2553

Molecular Formula

C19H20ClN3O3S2 (C19 H20 ClN3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCN(c1c2cccc1)C(SCC(Nc1cccc(Cl)c1C)=O)=NS2(=O)=O

InChI

InChI=1S/C19H20ClN3O3S2/c1-3-11-23-16-9-4-5-10-17(16)28(25,26)22-19(23)27-12-18(24)21-15-8-6-7-14(20)13(15)2/h4-10H,3,11-12H2,1-2H3,(H,21,24)

InChI Key

LGDJWGTYVZVTNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15084971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.97

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

4.207

Distribution Coefficient, logD

4.207

Water Solubility, LogSw

-4.26

Polar Surface Area

66.415

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with K261-2553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2553?
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What is the minimum amount of K261-2553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2553
  • 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 K261-2553 available by request