K788-5170 Screening compound: 1-(4-ethylphenyl)-3-[3-(morpholin-4-yl)propyl]-3-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]urea

K788-5170 Screening compound: 1-(4-ethylphenyl)-3-[3-(morpholin-4-yl)propyl]-3-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]urea
K788-5170 Screening compound: 1-(4-ethylphenyl)-3-[3-(morpholin-4-yl)propyl]-3-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5170
1-(4-ethylphenyl)-3-[3-(morpholin-4-yl)propyl]-3-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]urea

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

K788-5170

Molecular Formula

C29H42N4O2 (C29 H42 N4 O2)

Compound Name

1-(4-ethylphenyl)-3-[3-(morpholin-4-yl)propyl]-3-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]urea

IUPAC name

1-(4-ethylphenyl)-3-[3-(morpholin-4-yl)propyl]-3-[(1-propyl-1234-tetrahydroquinolin-6-yl)methyl]urea

SMILES

CCCN(CCC1)c2c1cc(CN(CCCN1CCOCC1)C(Nc1ccc(CC)cc1)=O)cc2

InChI

InChI=1S/C29H42N4O2/c1-3-14-32-16-5-7-26-22-25(10-13-28(26)32)23-33(17-6-15-31-18-20-35-21-19-31)29(34)30-27-11-8-24(4-2)9-12-27/h8-13,22H,3-7,14-21,23H2,1-2H3,(H,30,34)

InChI Key

WLVAMPGCIWPSJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.68

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.016

Distribution Coefficient, logD

4.520

Water Solubility, LogSw

-4.59

Polar Surface Area

39.681

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

7.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.20

K788-5170 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Human Receptors Annotated Library (5376 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
  • Receptor's ligands
  • Epigenetic
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Others

References: we are preparing a list of scientific research reports with K788-5170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5170?
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What is the minimum amount of K788-5170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5170
  • 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 K788-5170 available by request