0796-0049 Screening compound: 1-(4-methylphenyl)-3-(2-methylprop-2-en-1-yl)thiourea

0796-0049 Screening compound: 1-(4-methylphenyl)-3-(2-methylprop-2-en-1-yl)thiourea
0796-0049 Screening compound: 1-(4-methylphenyl)-3-(2-methylprop-2-en-1-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 0796-0049
1-(4-methylphenyl)-3-(2-methylprop-2-en-1-yl)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

0796-0049

Molecular Formula

C12H16N2S (C12 H16 N2 S)

Compound Name

1-(4-methylphenyl)-3-(2-methylprop-2-en-1-yl)thiourea

IUPAC name

1-(4-methylphenyl)-3-(2-methylprop-2-en-1-yl)thiourea

SMILES

CC(CNC(Nc1ccc(C)cc1)=S)=C

InChI

InChI=1S/C12H16N2S/c1-9(2)8-13-12(15)14-11-6-4-10(3)5-7-11/h4-7H,1,8H2,2-3H3,(H2,13,14,15)

InChI Key

DOQPMXIJHVVSHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00572811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

220.34

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.404

Distribution Coefficient, logD

3.404

Water Solubility, LogSw

-3.51

Polar Surface Area

20.655

Acid Dissociation Constant (pKa)

14.65

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 0796-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0796-0049?
Check Price and Availability of 0796-0049, 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 0796-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0796-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0796-0049
  • 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 0796-0049 available by request