K788-5554 Screening compound: 3-cyclopentyl-3-[(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1-(3-methoxyphenyl)thiourea

K788-5554 Screening compound: 3-cyclopentyl-3-[(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1-(3-methoxyphenyl)thiourea
K788-5554 Screening compound: 3-cyclopentyl-3-[(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1-(3-methoxyphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5554
3-cyclopentyl-3-[(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1-(3-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

K788-5554

Molecular Formula

C25H33N3OS (C25 H33 N3 OS)

Compound Name

3-cyclopentyl-3-[(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1-(3-methoxyphenyl)thiourea

IUPAC name

3-cyclopentyl-3-[(1-ethyl-1234-tetrahydroquinolin-6-yl)methyl]-1-(3-methoxyphenyl)thiourea

SMILES

CCN(CCC1)c2c1cc(CN(C1CCCC1)C(Nc1cc(OC)ccc1)=S)cc2

InChI

InChI=1S/C25H33N3OS/c1-3-27-15-7-8-20-16-19(13-14-24(20)27)18-28(22-10-4-5-11-22)25(30)26-21-9-6-12-23(17-21)29-2/h6,9,12-14,16-17,22H,3-5,7-8,10-11,15,18H2,1-2H3,(H,26,30)

InChI Key

DDAIYLFOGUAINV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.62

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.543

Distribution Coefficient, logD

5.064

Water Solubility, LogSw

-5.49

Polar Surface Area

20.141

Acid Dissociation Constant (pKa)

14.77

Base Dissociation Constant (pKb)

8.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

References: we are preparing a list of scientific research reports with K788-5554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5554?
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What is the minimum amount of K788-5554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5554
  • 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 K788-5554 available by request