C087-0492 Screening compound: 1-(3,4-dimethylphenyl)-3-[(furan-2-yl)methyl]-3-[2-(piperidin-1-yl)ethyl]thiourea

C087-0492 Screening compound: 1-(3,4-dimethylphenyl)-3-[(furan-2-yl)methyl]-3-[2-(piperidin-1-yl)ethyl]thiourea
C087-0492 Screening compound: 1-(3,4-dimethylphenyl)-3-[(furan-2-yl)methyl]-3-[2-(piperidin-1-yl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-0492
1-(3,4-dimethylphenyl)-3-[(furan-2-yl)methyl]-3-[2-(piperidin-1-yl)ethyl]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

C087-0492

Molecular Formula

C21H29N3OS (C21 H29 N3 OS)

Compound Name

1-(3,4-dimethylphenyl)-3-[(furan-2-yl)methyl]-3-[2-(piperidin-1-yl)ethyl]thiourea

IUPAC name

1-(34-dimethylphenyl)-3-[(furan-2-yl)methyl]-3-[2-(piperidin-1-yl)ethyl]thiourea

SMILES

Cc(cc1)c(C)cc1NC(N(CCN1CCCCC1)Cc1ccco1)=S

InChI

InChI=1S/C21H29N3OS/c1-17-8-9-19(15-18(17)2)22-21(26)24(16-20-7-6-14-25-20)13-12-23-10-4-3-5-11-23/h6-9,14-15H,3-5,10-13,16H2,1-2H3,(H,22,26)

InChI Key

SNXVQBVEXISXBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.952

Distribution Coefficient, logD

2.101

Water Solubility, LogSw

-4.47

Polar Surface Area

22.138

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

10.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

C087-0492 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C087-0492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-0492?
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What is the minimum amount of C087-0492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-0492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-0492
  • 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 C087-0492 available by request