C087-1213 Screening compound: 1-cyclohexyl-1-[(thiophen-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea

C087-1213 Screening compound: 1-cyclohexyl-1-[(thiophen-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea
C087-1213 Screening compound: 1-cyclohexyl-1-[(thiophen-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-1213
1-cyclohexyl-1-[(thiophen-2-yl)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

C087-1213

Molecular Formula

C19H21F3N2S2 (C19 H21 F3 N2 S2)

Compound Name

1-cyclohexyl-1-[(thiophen-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea

IUPAC name

1-cyclohexyl-1-[(thiophen-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea

SMILES

FC(c1cccc(NC(N(Cc2cccs2)C2CCCCC2)=S)c1)(F)F

InChI

InChI=1S/C19H21F3N2S2/c20-19(21,22)14-6-4-7-15(12-14)23-18(25)24(13-17-10-5-11-26-17)16-8-2-1-3-9-16/h4-7,10-12,16H,1-3,8-9,13H2,(H,23,25)

InChI Key

CNNFYDMVLZQEJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03449575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.52

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.540

Distribution Coefficient, logD

6.540

Water Solubility, LogSw

-6.40

Polar Surface Area

10.691

Acid Dissociation Constant (pKa)

13.19

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

C087-1213 in Drug Discovery

Included in Screening Libraries

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

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C087-1213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-1213?
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What is the minimum amount of C087-1213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-1213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-1213
  • 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 C087-1213 available by request