2729-1161 Screening compound: 1-benzoyl-3-(2,4-dimethylquinolin-8-yl)thiourea

2729-1161 Screening compound: 1-benzoyl-3-(2,4-dimethylquinolin-8-yl)thiourea
2729-1161 Screening compound: 1-benzoyl-3-(2,4-dimethylquinolin-8-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 2729-1161
1-benzoyl-3-(2,4-dimethylquinolin-8-yl)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

2729-1161

Molecular Formula

C19H17N3OS (C19 H17 N3 OS)

Compound Name

1-benzoyl-3-(2,4-dimethylquinolin-8-yl)thiourea

IUPAC name

1-benzoyl-3-(24-dimethylquinolin-8-yl)thiourea

SMILES

Cc1c(cccc2NC(NC(c3ccccc3)=O)=S)c2nc(C)c1

InChI

InChI=1S/C19H17N3OS/c1-12-11-13(2)20-17-15(12)9-6-10-16(17)21-19(24)22-18(23)14-7-4-3-5-8-14/h3-11H,1-2H3,(H2,21,22,23,24)

InChI Key

ZHSNWNOQXNGNDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01960546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.312

Distribution Coefficient, logD

4.311

Water Solubility, LogSw

-4.35

Polar Surface Area

41.450

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

2729-1161 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2729-1161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2729-1161?
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What is the minimum amount of 2729-1161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2729-1161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2729-1161
  • 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 2729-1161 available by request