K788-5432 Screening compound: ethyl 4-({[3-(morpholin-4-yl)propyl][(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]carbamothioyl}amino)benzoate

K788-5432 Screening compound: ethyl 4-({[3-(morpholin-4-yl)propyl][(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]carbamothioyl}amino)benzoate
K788-5432 Screening compound: ethyl 4-({[3-(morpholin-4-yl)propyl][(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]carbamothioyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5432
ethyl 4-({[3-(morpholin-4-yl)propyl][(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]carbamothioyl}amino)benzoate

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

K788-5432

Molecular Formula

C30H42N4O3S (C30 H42 N4 O3 S)

Compound Name

ethyl 4-({[3-(morpholin-4-yl)propyl][(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]carbamothioyl}amino)benzoate

IUPAC name

ethyl 4-({[3-(morpholin-4-yl)propyl][(1-propyl-1234-tetrahydroquinolin-6-yl)methyl]carbamothioyl}amino)benzoate

SMILES

CCCN(CCC1)c2c1cc(CN(CCCN1CCOCC1)C(Nc(cc1)ccc1C(OCC)=O)=S)cc2

InChI

InChI=1S/C30H42N4O3S/c1-3-14-33-16-5-7-26-22-24(8-13-28(26)33)23-34(17-6-15-32-18-20-36-21-19-32)30(38)31-27-11-9-25(10-12-27)29(35)37-4-2/h8-13,22H,3-7,14-21,23H2,1-2H3,(H,31,38)

InChI Key

VIIKMTPFNFXYPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.75

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.364

Distribution Coefficient, logD

4.868

Water Solubility, LogSw

-5.34

Polar Surface Area

45.864

Acid Dissociation Constant (pKa)

13.62

Base Dissociation Constant (pKb)

7.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

K788-5432 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with K788-5432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5432?
Check Price and Availability of K788-5432, 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 K788-5432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5432
  • 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 K788-5432 available by request