K788-5349 Screening compound: 3-(butan-2-yl)-3-[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1-(2,5-dimethylphenyl)thiourea

K788-5349 Screening compound: 3-(butan-2-yl)-3-[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1-(2,5-dimethylphenyl)thiourea
K788-5349 Screening compound: 3-(butan-2-yl)-3-[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1-(2,5-dimethylphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5349
3-(butan-2-yl)-3-[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1-(2,5-dimethylphenyl)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

K788-5349

Molecular Formula

C27H39N3S (C27 H39 N3 S)

Compound Name

3-(butan-2-yl)-3-[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1-(2,5-dimethylphenyl)thiourea

IUPAC name

3-(butan-2-yl)-3-[(1-butyl-1234-tetrahydroquinolin-6-yl)methyl]-1-(25-dimethylphenyl)thiourea

SMILES

CCCCN(CCC1)c2c1cc(CN(C(C)CC)C(Nc1c(C)ccc(C)c1)=S)cc2

InChI

InChI=1S/C27H39N3S/c1-6-8-15-29-16-9-10-24-18-23(13-14-26(24)29)19-30(22(5)7-2)27(31)28-25-17-20(3)11-12-21(25)4/h11-14,17-18,22H,6-10,15-16,19H2,1-5H3,(H,28,31)/t22-/m0/s1

InChI Key

PYENQYIXDRDQFS-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD15105657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.69

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.049

Distribution Coefficient, logD

6.575

Water Solubility, LogSw

-5.78

Polar Surface Area

12.143

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

51.90

References: we are preparing a list of scientific research reports with K788-5349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5349?
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What is the minimum amount of K788-5349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5349
  • 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 K788-5349 available by request