K261-2044 Screening compound: N~1~-[2-(acetylamino)ethyl]-4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3-methylbutanamide

K261-2044 Screening compound: N~1~-[2-(acetylamino)ethyl]-4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3-methylbutanamide
K261-2044 Screening compound: N~1~-[2-(acetylamino)ethyl]-4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2044
N~1~-[2-(acetylamino)ethyl]-4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3-methylbutanamide

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

K261-2044

Molecular Formula

C16H22N4O4S (C16 H22 N4 O4 S)

Compound Name

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

IUPAC name

4-(11-dioxo-2H-1lambda624-benzothiadiazin-3-yl)-N-(2-acetamidoethyl)-3-methylbutanamide

SMILES

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

InChI

InChI=1S/C16H22N4O4S/c1-11(10-16(22)18-8-7-17-12(2)21)9-15-19-13-5-3-4-6-14(13)25(23,24)20-15/h3-6,11H,7-10H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)/t11-/m1/s1

InChI Key

NVGWJYWENAGHKR-LLVKDONJSA-N

MDL Number (MFCD)

MFCD15084743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.937

Distribution Coefficient, logD

-1.377

Water Solubility, LogSw

-2.07

Polar Surface Area

99.634

Acid Dissociation Constant (pKa)

7.16

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

References: we are preparing a list of scientific research reports with K261-2044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2044?
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What is the minimum amount of K261-2044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2044
  • 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 K261-2044 available by request