C790-0054 Screening compound: 1-(naphthalen-1-yl)-3-(thiophen-2-yl)urea

C790-0054 Screening compound: 1-(naphthalen-1-yl)-3-(thiophen-2-yl)urea
C790-0054 Screening compound: 1-(naphthalen-1-yl)-3-(thiophen-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C790-0054
1-(naphthalen-1-yl)-3-(thiophen-2-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

C790-0054

Molecular Formula

C15H12N2OS (C15 H12 N2 OS)

Compound Name

1-(naphthalen-1-yl)-3-(thiophen-2-yl)urea

IUPAC name

1-(naphthalen-1-yl)-3-(thiophen-2-yl)urea

SMILES

O=C(Nc1cccs1)Nc1cccc2ccccc12

InChI

InChI=1S/C15H12N2OS/c18-15(17-14-9-4-10-19-14)16-13-8-3-6-11-5-1-2-7-12(11)13/h1-10H,(H2,16,17,18)

InChI Key

FOCMXKYUFVXKNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.34

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

3.711

Distribution Coefficient, logD

3.711

Water Solubility, LogSw

-4.17

Polar Surface Area

32.064

Acid Dissociation Constant (pKa)

12.21

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

C790-0054 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C790-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C790-0054?
Check Price and Availability of C790-0054, 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 C790-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C790-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C790-0054
  • 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 C790-0054 available by request