K788-4425 Screening compound: 3-[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-3-[3-(diethylamino)propyl]-1-(2-methoxyphenyl)thiourea

K788-4425 Screening compound: 3-[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-3-[3-(diethylamino)propyl]-1-(2-methoxyphenyl)thiourea
K788-4425 Screening compound: 3-[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-3-[3-(diethylamino)propyl]-1-(2-methoxyphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-4425
3-[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-3-[3-(diethylamino)propyl]-1-(2-methoxyphenyl)thiourea

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

K788-4425

Molecular Formula

C29H44N4OS (C29 H44 N4 OS)

Compound Name

3-[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-3-[3-(diethylamino)propyl]-1-(2-methoxyphenyl)thiourea

IUPAC name

3-[(1-butyl-1234-tetrahydroquinolin-6-yl)methyl]-3-[3-(diethylamino)propyl]-1-(2-methoxyphenyl)thiourea

SMILES

CCCCN(CCC1)c2c1cc(CN(CCCN(CC)CC)C(Nc(cccc1)c1OC)=S)cc2

InChI

InChI=1S/C29H44N4OS/c1-5-8-19-32-20-11-13-25-22-24(16-17-27(25)32)23-33(21-12-18-31(6-2)7-3)29(35)30-26-14-9-10-15-28(26)34-4/h9-10,14-17,22H,5-8,11-13,18-21,23H2,1-4H3,(H,30,35)

InChI Key

MKRHIQHAOWKLSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15104963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.76

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.535

Distribution Coefficient, logD

4.349

Water Solubility, LogSw

-5.67

Polar Surface Area

23.834

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

9.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.20

K788-4425 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with K788-4425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-4425?
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What is the minimum amount of K788-4425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-4425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-4425
  • 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 K788-4425 available by request