K788-3911 Screening compound: 3-[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1-(3,5-dimethylphenyl)-3-[(furan-2-yl)methyl]thiourea

K788-3911 Screening compound: 3-[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1-(3,5-dimethylphenyl)-3-[(furan-2-yl)methyl]thiourea
K788-3911 Screening compound: 3-[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1-(3,5-dimethylphenyl)-3-[(furan-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-3911
3-[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1-(3,5-dimethylphenyl)-3-[(furan-2-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

K788-3911

Molecular Formula

C28H35N3OS (C28 H35 N3 OS)

Compound Name

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

IUPAC name

3-[(1-butyl-1234-tetrahydroquinolin-6-yl)methyl]-1-(35-dimethylphenyl)-3-[(furan-2-yl)methyl]thiourea

SMILES

CCCCN(CCC1)c2c1cc(CN(Cc1ccco1)C(Nc1cc(C)cc(C)c1)=S)cc2

InChI

InChI=1S/C28H35N3OS/c1-4-5-12-30-13-6-8-24-18-23(10-11-27(24)30)19-31(20-26-9-7-14-32-26)28(33)29-25-16-21(2)15-22(3)17-25/h7,9-11,14-18H,4-6,8,12-13,19-20H2,1-3H3,(H,29,33)

InChI Key

NKUJCXAWAOTWNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15104726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.67

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

7.020

Distribution Coefficient, logD

6.546

Water Solubility, LogSw

-5.74

Polar Surface Area

20.989

Acid Dissociation Constant (pKa)

15.75

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with K788-3911 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-3911?
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What is the minimum amount of K788-3911 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-3911
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-3911
  • 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 K788-3911 available by request