K788-5591 Screening compound: 3-(3-methoxypropyl)-1-(3-methylphenyl)-3-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]thiourea

K788-5591 Screening compound: 3-(3-methoxypropyl)-1-(3-methylphenyl)-3-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]thiourea
K788-5591 Screening compound: 3-(3-methoxypropyl)-1-(3-methylphenyl)-3-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5591
3-(3-methoxypropyl)-1-(3-methylphenyl)-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

K788-5591

Molecular Formula

C25H35N3OS (C25 H35 N3 OS)

Compound Name

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

IUPAC name

3-(3-methoxypropyl)-1-(3-methylphenyl)-3-[(1-propyl-1234-tetrahydroquinolin-6-yl)methyl]thiourea

SMILES

CCCN(CCC1)c2c1cc(CN(CCCOC)C(Nc1cc(C)ccc1)=S)cc2

InChI

InChI=1S/C25H35N3OS/c1-4-13-27-14-6-9-22-18-21(11-12-24(22)27)19-28(15-7-16-29-3)25(30)26-23-10-5-8-20(2)17-23/h5,8,10-12,17-18H,4,6-7,9,13-16,19H2,1-3H3,(H,26,30)

InChI Key

CDGJTTKBPBUXIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.64

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.538

Distribution Coefficient, logD

5.042

Water Solubility, LogSw

-5.40

Polar Surface Area

21.833

Acid Dissociation Constant (pKa)

15.49

Base Dissociation Constant (pKb)

7.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

References: we are preparing a list of scientific research reports with K788-5591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5591?
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What is the minimum amount of K788-5591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5591
  • 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 K788-5591 available by request