C087-1162 Screening compound: 1-cyclohexyl-3-(2-fluorophenyl)-1-[(thiophen-2-yl)methyl]thiourea

C087-1162 Screening compound: 1-cyclohexyl-3-(2-fluorophenyl)-1-[(thiophen-2-yl)methyl]thiourea
C087-1162 Screening compound: 1-cyclohexyl-3-(2-fluorophenyl)-1-[(thiophen-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-1162
1-cyclohexyl-3-(2-fluorophenyl)-1-[(thiophen-2-yl)methyl]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

C087-1162

Molecular Formula

C18H21FN2S2 (C18 H21 FN2 S2)

Compound Name

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

IUPAC name

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

SMILES

Fc(cccc1)c1NC(N(Cc1cccs1)C1CCCCC1)=S

InChI

InChI=1S/C18H21FN2S2/c19-16-10-4-5-11-17(16)20-18(22)21(13-15-9-6-12-23-15)14-7-2-1-3-8-14/h4-6,9-12,14H,1-3,7-8,13H2,(H,20,22)

InChI Key

NDNAFINDMSGIRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03449566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.51

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.621

Distribution Coefficient, logD

5.621

Water Solubility, LogSw

-5.85

Polar Surface Area

9.993

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

C087-1162 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C087-1162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-1162?
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What is the minimum amount of C087-1162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-1162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-1162
  • 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 C087-1162 available by request