K788-5059 Screening compound: 1-(3-chlorophenyl)-3-(2-methoxyethyl)-3-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]thiourea

K788-5059 Screening compound: 1-(3-chlorophenyl)-3-(2-methoxyethyl)-3-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]thiourea
K788-5059 Screening compound: 1-(3-chlorophenyl)-3-(2-methoxyethyl)-3-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5059
1-(3-chlorophenyl)-3-(2-methoxyethyl)-3-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]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

K788-5059

Molecular Formula

C23H30ClN3OS (C23 H30 ClN3 OS)

Compound Name

1-(3-chlorophenyl)-3-(2-methoxyethyl)-3-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]thiourea

IUPAC name

1-(3-chlorophenyl)-3-(2-methoxyethyl)-3-[(1-propyl-1234-tetrahydroquinolin-6-yl)methyl]thiourea

SMILES

CCCN(CCC1)c2c1cc(CN(CCOC)C(Nc1cccc(Cl)c1)=S)cc2

InChI

InChI=1S/C23H30ClN3OS/c1-3-11-26-12-5-6-19-15-18(9-10-22(19)26)17-27(13-14-28-2)23(29)25-21-8-4-7-20(24)16-21/h4,7-10,15-16H,3,5-6,11-14,17H2,1-2H3,(H,25,29)

InChI Key

REUIEEOOYXWIBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.03

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.591

Distribution Coefficient, logD

5.095

Water Solubility, LogSw

-5.81

Polar Surface Area

21.833

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

7.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with K788-5059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5059?
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What is the minimum amount of K788-5059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5059
  • 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 K788-5059 available by request