C795-0356 Screening compound: 3-(thiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]urea

C795-0356 Screening compound: 3-(thiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]urea
C795-0356 Screening compound: 3-(thiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0356
3-(thiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]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

C795-0356

Molecular Formula

C12H9F3N2OS (C12 H9 F3 N2 OS)

Compound Name

3-(thiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]urea

IUPAC name

3-(thiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]urea

SMILES

O=C(Nc1cccs1)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C12H9F3N2OS/c13-12(14,15)8-3-1-4-9(7-8)16-11(18)17-10-5-2-6-19-10/h1-7H,(H2,16,17,18)

InChI Key

HAQSPGUBJSYNAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06629069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.28

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.184

Distribution Coefficient, logD

4.184

Water Solubility, LogSw

-4.44

Polar Surface Area

33.034

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

C795-0356 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C795-0356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0356?
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What is the minimum amount of C795-0356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0356
  • 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 C795-0356 available by request