D505-0166 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonamide

D505-0166 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonamide
D505-0166 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D505-0166
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)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

D505-0166

Molecular Formula

C26H28N4O3S (C26 H28 N4 O3 S)

Compound Name

N-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonamide

IUPAC name

N-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-(3-methyl-4-oxo-345678-hexahydrophthalazin-1-yl)benzene-1-sulfonamide

SMILES

Cc(ccc(C(C1=C2CCCC1)=NN(C)C2=O)c1)c1S(NCCc1c[nH]c2c1cccc2)(=O)=O

InChI

InChI=1S/C26H28N4O3S/c1-17-11-12-18(25-21-8-3-4-9-22(21)26(31)30(2)29-25)15-24(17)34(32,33)28-14-13-19-16-27-23-10-6-5-7-20(19)23/h5-7,10-12,15-16,27-28H,3-4,8-9,13-14H2,1-2H3

InChI Key

RDXTVJQMHKKQNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14859572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.960

Distribution Coefficient, logD

4.960

Water Solubility, LogSw

-4.68

Polar Surface Area

78.809

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

D505-0166 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

Glucocorticoid receptors Library (4806 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • GPCR
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D505-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D505-0166?
Check Price and Availability of D505-0166, 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 D505-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D505-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D505-0166
  • 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 D505-0166 available by request