K788-5244 Screening compound: 1-(3-chlorophenyl)-3-(2-methylcyclohexyl)-3-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]thiourea

K788-5244 Screening compound: 1-(3-chlorophenyl)-3-(2-methylcyclohexyl)-3-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]thiourea
K788-5244 Screening compound: 1-(3-chlorophenyl)-3-(2-methylcyclohexyl)-3-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5244
1-(3-chlorophenyl)-3-(2-methylcyclohexyl)-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

K788-5244

Molecular Formula

C27H36ClN3S (C27 H36 ClN3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCN(CCC1)c2c1cc(CN(C1C(C)CCCC1)C(Nc1cccc(Cl)c1)=S)cc2

InChI

InChI=1S/C27H36ClN3S/c1-3-15-30-16-7-9-22-17-21(13-14-26(22)30)19-31(25-12-5-4-8-20(25)2)27(32)29-24-11-6-10-23(28)18-24/h6,10-11,13-14,17-18,20,25H,3-5,7-9,12,15-16,19H2,1-2H3,(H,29,32)

InChI Key

WCAYXVXQTLSIOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.12

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.413

Distribution Coefficient, logD

6.917

Water Solubility, LogSw

-6.55

Polar Surface Area

11.951

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

7.73

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

51.90

K788-5244 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with K788-5244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5244?
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What is the minimum amount of K788-5244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5244
  • 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 K788-5244 available by request