K261-3002 Screening compound: 2-[(4-ethyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-(4-methoxyphenyl)acetamide

K261-3002 Screening compound: 2-[(4-ethyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-(4-methoxyphenyl)acetamide
K261-3002 Screening compound: 2-[(4-ethyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-3002
2-[(4-ethyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-(4-methoxyphenyl)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

K261-3002

Molecular Formula

C18H19N3O4S2 (C18 H19 N3 O4 S2)

Compound Name

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

IUPAC name

2-[(4-ethyl-11-dioxo-4H-1lambda624-benzothiadiazin-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide

SMILES

CCN(c1c2cccc1)C(SCC(Nc(cc1)ccc1OC)=O)=NS2(=O)=O

InChI

InChI=1S/C18H19N3O4S2/c1-3-21-15-6-4-5-7-16(15)27(23,24)20-18(21)26-12-17(22)19-13-8-10-14(25-2)11-9-13/h4-11H,3,12H2,1-2H3,(H,19,22)

InChI Key

AXMSOOODBNFLBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.892

Distribution Coefficient, logD

2.892

Water Solubility, LogSw

-3.65

Polar Surface Area

74.403

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

4.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with K261-3002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-3002?
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What is the minimum amount of K261-3002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-3002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-3002
  • 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 K261-3002 available by request