D534-0827 Screening compound: N-benzyl-N-ethyl-4-[(6-methyl-3-oxo-2,3-dihydropyridazin-4-yl)methyl]benzene-1-sulfonamide

D534-0827 Screening compound: N-benzyl-N-ethyl-4-[(6-methyl-3-oxo-2,3-dihydropyridazin-4-yl)methyl]benzene-1-sulfonamide
D534-0827 Screening compound: N-benzyl-N-ethyl-4-[(6-methyl-3-oxo-2,3-dihydropyridazin-4-yl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D534-0827
N-benzyl-N-ethyl-4-[(6-methyl-3-oxo-2,3-dihydropyridazin-4-yl)methyl]benzene-1-sulfonamide

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

D534-0827

Molecular Formula

C21H23N3O3S (C21 H23 N3 O3 S)

Compound Name

N-benzyl-N-ethyl-4-[(6-methyl-3-oxo-2,3-dihydropyridazin-4-yl)methyl]benzene-1-sulfonamide

IUPAC name

N-benzyl-N-ethyl-4-[(6-methyl-3-oxo-23-dihydropyridazin-4-yl)methyl]benzene-1-sulfonamide

SMILES

CCN(Cc1ccccc1)S(c1ccc(CC2=CC(C)=NNC2=O)cc1)(=O)=O

InChI

InChI=1S/C21H23N3O3S/c1-3-24(15-18-7-5-4-6-8-18)28(26,27)20-11-9-17(10-12-20)14-19-13-16(2)22-23-21(19)25/h4-13H,3,14-15H2,1-2H3,(H,23,25)

InChI Key

KNHNCACKEKEJQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.345

Distribution Coefficient, logD

3.345

Water Solubility, LogSw

-3.65

Polar Surface Area

67.706

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D534-0827 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with D534-0827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D534-0827?
Check Price and Availability of D534-0827, 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 D534-0827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D534-0827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D534-0827
  • 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 D534-0827 available by request