K261-1477 Screening compound: N~1~-[2-(1-adamantyl)ethyl]-3-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)propanamide

K261-1477 Screening compound: N~1~-[2-(1-adamantyl)ethyl]-3-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)propanamide
K261-1477 Screening compound: N~1~-[2-(1-adamantyl)ethyl]-3-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1477
N~1~-[2-(1-adamantyl)ethyl]-3-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)propanamide

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

K261-1477

Molecular Formula

C22H29N3O3S (C22 H29 N3 O3 S)

Compound Name

N~1~-[2-(1-adamantyl)ethyl]-3-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)propanamide

IUPAC name

N-[2-(adamantan-1-yl)ethyl]-3-(11-dioxo-2H-1lambda624-benzothiadiazin-3-yl)propanamide

SMILES

O=C(CCC(N1)=Nc(cccc2)c2S1(=O)=O)NCCC1(CC(C2)C3)CC3CC2C1

InChI

InChI=1S/C22H29N3O3S/c26-21(6-5-20-24-18-3-1-2-4-19(18)29(27,28)25-20)23-8-7-22-12-15-9-16(13-22)11-17(10-15)14-22/h1-4,15-17H,5-14H2,(H,23,26)(H,24,25)

InChI Key

ZPHBLCMZCICJNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15084460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.529

Distribution Coefficient, logD

2.164

Water Solubility, LogSw

-2.89

Polar Surface Area

74.971

Acid Dissociation Constant (pKa)

7.28

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

K261-1477 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Ion Channels
  • Phosphatases

References: we are preparing a list of scientific research reports with K261-1477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1477?
Check Price and Availability of K261-1477, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K261-1477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1477
  • 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 K261-1477 available by request