K261-3128 Screening compound: 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethyl-N~1~-(3-phenylpropyl)butanamide

K261-3128 Screening compound: 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethyl-N~1~-(3-phenylpropyl)butanamide
K261-3128 Screening compound: 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethyl-N~1~-(3-phenylpropyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-3128
4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethyl-N~1~-(3-phenylpropyl)butanamide

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

K261-3128

Molecular Formula

C22H27N3O3S (C22 H27 N3 O3 S)

Compound Name

4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethyl-N~1~-(3-phenylpropyl)butanamide

IUPAC name

4-(11-dioxo-2H-1lambda624-benzothiadiazin-3-yl)-33-dimethyl-N-(3-phenylpropyl)butanamide

SMILES

CC(C)(CC(NCCCc1ccccc1)=O)CC(N1)=Nc(cccc2)c2S1(=O)=O

InChI

InChI=1S/C22H27N3O3S/c1-22(2,16-21(26)23-14-8-11-17-9-4-3-5-10-17)15-20-24-18-12-6-7-13-19(18)29(27,28)25-20/h3-7,9-10,12-13H,8,11,14-16H2,1-2H3,(H,23,26)(H,24,25)

InChI Key

WSTJYGJOXFLVMR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.794

Distribution Coefficient, logD

2.220

Water Solubility, LogSw

-3.48

Polar Surface Area

74.937

Acid Dissociation Constant (pKa)

6.96

Base Dissociation Constant (pKb)

6.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with K261-3128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-3128?
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What is the minimum amount of K261-3128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-3128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-3128
  • 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 K261-3128 available by request