K261-3119 Screening compound: N~1~-(2-chlorobenzyl)-2-[2-(3-methoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide

K261-3119 Screening compound: N~1~-(2-chlorobenzyl)-2-[2-(3-methoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide
K261-3119 Screening compound: N~1~-(2-chlorobenzyl)-2-[2-(3-methoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-3119
N~1~-(2-chlorobenzyl)-2-[2-(3-methoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]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

K261-3119

Molecular Formula

C23H20ClN3O5S (C23 H20 ClN3 O5 S)

Compound Name

N~1~-(2-chlorobenzyl)-2-[2-(3-methoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide

IUPAC name

N-[(2-chlorophenyl)methyl]-2-[2-(3-methoxyphenyl)-113-trioxo-34-dihydro-2H-1lambda624-benzothiadiazin-4-yl]acetamide

SMILES

COc1cccc(N(C(N(CC(NCc(cccc2)c2Cl)=O)c2c3cccc2)=O)S3(=O)=O)c1

InChI

InChI=1S/C23H20ClN3O5S/c1-32-18-9-6-8-17(13-18)27-23(29)26(20-11-4-5-12-21(20)33(27,30)31)15-22(28)25-14-16-7-2-3-10-19(16)24/h2-13H,14-15H2,1H3,(H,25,28)

InChI Key

UVCQNIZTROFPAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.163

Distribution Coefficient, logD

4.163

Water Solubility, LogSw

-4.39

Polar Surface Area

78.758

Acid Dissociation Constant (pKa)

13.33

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with K261-3119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-3119?
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What is the minimum amount of K261-3119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-3119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-3119
  • 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 K261-3119 available by request