G017-1689 Screening compound: 7-({4-[6-(morpholin-4-yl)pyridazin-3-yl]piperazin-1-yl}sulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

G017-1689 Screening compound: 7-({4-[6-(morpholin-4-yl)pyridazin-3-yl]piperazin-1-yl}sulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one
G017-1689 Screening compound: 7-({4-[6-(morpholin-4-yl)pyridazin-3-yl]piperazin-1-yl}sulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G017-1689
7-({4-[6-(morpholin-4-yl)pyridazin-3-yl]piperazin-1-yl}sulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

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

G017-1689

Molecular Formula

C22H28N6O4S (C22 H28 N6 O4 S)

Compound Name

7-({4-[6-(morpholin-4-yl)pyridazin-3-yl]piperazin-1-yl}sulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

IUPAC name

7-({4-[6-(morpholin-4-yl)pyridazin-3-yl]piperazin-1-yl}sulfonyl)-2345-tetrahydro-1H-1-benzazepin-2-one

SMILES

O=C(CCC1)Nc(cc2)c1cc2S(N(CC1)CCN1c(cc1)nnc1N1CCOCC1)(=O)=O

InChI

InChI=1S/C22H28N6O4S/c29-22-3-1-2-17-16-18(4-5-19(17)23-22)33(30,31)28-10-8-26(9-11-28)20-6-7-21(25-24-20)27-12-14-32-15-13-27/h4-7,16H,1-3,8-15H2,(H,23,29)

InChI Key

QQXJMYUHLCNHFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14977326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.524

Distribution Coefficient, logD

1.522

Water Solubility, LogSw

-2.52

Polar Surface Area

92.392

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

G017-1689 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)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G017-1689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G017-1689?
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What is the minimum amount of G017-1689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G017-1689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G017-1689
  • 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 G017-1689 available by request