C798-0137 Screening compound: 1-(2,4-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)urea

C798-0137 Screening compound: 1-(2,4-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)urea
C798-0137 Screening compound: 1-(2,4-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-0137
1-(2,4-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)urea

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

C798-0137

Molecular Formula

C17H20N2OS (C17 H20 N2 OS)

Compound Name

1-(2,4-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)urea

IUPAC name

n/a

SMILES

Cc(cc1)cc(C)c1NC(Nc1csc2c1CCCC2)=O

InChI

InChI=1S/C17H20N2OS/c1-11-7-8-14(12(2)9-11)18-17(20)19-15-10-21-16-6-4-3-5-13(15)16/h7-10H,3-6H2,1-2H3,(H2,18,19,20)

InChI Key

FQGVGAQTKQUDLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.773

Distribution Coefficient, logD

4.773

Water Solubility, LogSw

-4.51

Polar Surface Area

32.085

Acid Dissociation Constant (pKa)

12.21

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

C798-0137 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C798-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-0137?
Check Price and Availability of C798-0137, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C798-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-0137
  • 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 C798-0137 available by request