8013-7930 Screening compound: 3-[(furan-2-yl)methyl]-1-(3-methylphenyl)thiourea

8013-7930 Screening compound: 3-[(furan-2-yl)methyl]-1-(3-methylphenyl)thiourea
8013-7930 Screening compound: 3-[(furan-2-yl)methyl]-1-(3-methylphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-7930
3-[(furan-2-yl)methyl]-1-(3-methylphenyl)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

8013-7930

Molecular Formula

C13H14N2OS (C13 H14 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(NC(NCc2ccco2)=S)c1

InChI

InChI=1S/C13H14N2OS/c1-10-4-2-5-11(8-10)15-13(17)14-9-12-6-3-7-16-12/h2-8H,9H2,1H3,(H2,14,15,17)

InChI Key

AORFXGMHWAYDNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00115213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

246.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.266

Distribution Coefficient, logD

3.266

Water Solubility, LogSw

-3.25

Polar Surface Area

28.132

Acid Dissociation Constant (pKa)

15.12

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

8013-7930 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-7930 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-7930?
Check Price and Availability of 8013-7930, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8013-7930 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-7930
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-7930
  • 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 8013-7930 available by request