C087-1212 Screening compound: 1-[(furan-2-yl)methyl]-1-[(4-methylphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea

C087-1212 Screening compound: 1-[(furan-2-yl)methyl]-1-[(4-methylphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea
C087-1212 Screening compound: 1-[(furan-2-yl)methyl]-1-[(4-methylphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-1212
1-[(furan-2-yl)methyl]-1-[(4-methylphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]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

C087-1212

Molecular Formula

C21H19F3N2OS (C21 H19 F3 N2 OS)

Compound Name

1-[(furan-2-yl)methyl]-1-[(4-methylphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea

IUPAC name

1-[(furan-2-yl)methyl]-1-[(4-methylphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea

SMILES

Cc1ccc(CN(Cc2ccco2)C(Nc2cc(C(F)(F)F)ccc2)=S)cc1

InChI

InChI=1S/C21H19F3N2OS/c1-15-7-9-16(10-8-15)13-26(14-19-6-3-11-27-19)20(28)25-18-5-2-4-17(12-18)21(22,23)24/h2-12H,13-14H2,1H3,(H,25,28)

InChI Key

RVHYTFPOKTXCPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03449574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.100

Distribution Coefficient, logD

6.100

Water Solubility, LogSw

-5.74

Polar Surface Area

18.177

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

-2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C087-1212 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with C087-1212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-1212?
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What is the minimum amount of C087-1212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-1212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-1212
  • 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 C087-1212 available by request