K788-5105 Screening compound: 1-(3,4-dimethylphenyl)-3-[(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-3-[2-(morpholin-4-yl)ethyl]urea

K788-5105 Screening compound: 1-(3,4-dimethylphenyl)-3-[(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-3-[2-(morpholin-4-yl)ethyl]urea
K788-5105 Screening compound: 1-(3,4-dimethylphenyl)-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 K788-5105
1-(3,4-dimethylphenyl)-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

K788-5105

Molecular Formula

C27H38N4O2 (C27 H38 N4 O2)

Compound Name

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

IUPAC name

1-(34-dimethylphenyl)-3-[(1-ethyl-1234-tetrahydroquinolin-6-yl)methyl]-3-[2-(morpholin-4-yl)ethyl]urea

SMILES

CCN(CCC1)c2c1cc(CN(CCN1CCOCC1)C(Nc1cc(C)c(C)cc1)=O)cc2

InChI

InChI=1S/C27H38N4O2/c1-4-30-11-5-6-24-19-23(8-10-26(24)30)20-31(13-12-29-14-16-33-17-15-29)27(32)28-25-9-7-21(2)22(3)18-25/h7-10,18-19H,4-6,11-17,20H2,1-3H3,(H,28,32)

InChI Key

KNMQFXAXXXFFGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.160

Distribution Coefficient, logD

3.681

Water Solubility, LogSw

-4.08

Polar Surface Area

39.427

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

8.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.90

K788-5105 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K788-5105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5105?
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What is the minimum amount of K788-5105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5105
  • 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 K788-5105 available by request