K788-5437 Screening compound: 1-(4-ethoxyphenyl)-3-[(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-3-[2-(morpholin-4-yl)ethyl]urea

K788-5437 Screening compound: 1-(4-ethoxyphenyl)-3-[(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-3-[2-(morpholin-4-yl)ethyl]urea
K788-5437 Screening compound: 1-(4-ethoxyphenyl)-3-[(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-3-[2-(morpholin-4-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5437
1-(4-ethoxyphenyl)-3-[(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-3-[2-(morpholin-4-yl)ethyl]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

K788-5437

Molecular Formula

C27H38N4O3 (C27 H38 N4 O3)

Compound Name

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

IUPAC name

1-(4-ethoxyphenyl)-3-[(1-ethyl-1234-tetrahydroquinolin-6-yl)methyl]-3-[2-(morpholin-4-yl)ethyl]urea

SMILES

CCN(CCC1)c2c1cc(CN(CCN1CCOCC1)C(Nc(cc1)ccc1OCC)=O)cc2

InChI

InChI=1S/C27H38N4O3/c1-3-30-13-5-6-23-20-22(7-12-26(23)30)21-31(15-14-29-16-18-33-19-17-29)27(32)28-24-8-10-25(11-9-24)34-4-2/h7-12,20H,3-6,13-19,21H2,1-2H3,(H,28,32)

InChI Key

TZJIPJWKVRVWBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.542

Distribution Coefficient, logD

3.063

Water Solubility, LogSw

-3.76

Polar Surface Area

46.551

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

8.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.85

K788-5437 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with K788-5437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5437?
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What is the minimum amount of K788-5437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5437
  • 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 K788-5437 available by request