5613-0385 Screening compound: N-[3-(5-methyl-2-oxotetrahydro-3-furanyl)propanoyl]-N'-(4-methylphenyl)thiourea

5613-0385 Screening compound: N-[3-(5-methyl-2-oxotetrahydro-3-furanyl)propanoyl]-N'-(4-methylphenyl)thiourea
5613-0385 Screening compound: N-[3-(5-methyl-2-oxotetrahydro-3-furanyl)propanoyl]-N'-(4-methylphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 5613-0385
N-[3-(5-methyl-2-oxotetrahydro-3-furanyl)propanoyl]-N'-(4-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

5613-0385

Molecular Formula

C16H20N2O3S (C16 H20 N2 O3 S)

Compound Name

N-[3-(5-methyl-2-oxotetrahydro-3-furanyl)propanoyl]-N'-(4-methylphenyl)thiourea

IUPAC name

3-[3-(5-methyl-2-oxooxolan-3-yl)propanoyl]-1-(4-methylphenyl)thiourea

SMILES

CC(CC1CCC(NC(Nc2ccc(C)cc2)=S)=O)OC1=O

InChI

InChI=1S/C16H20N2O3S/c1-10-3-6-13(7-4-10)17-16(22)18-14(19)8-5-12-9-11(2)21-15(12)20/h3-4,6-7,11-12H,5,8-9H2,1-2H3,(H2,17,18,19,22)

InChI Key

XHXJUDYMGXIPRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03502809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.690

Distribution Coefficient, logD

2.690

Water Solubility, LogSw

-3.12

Polar Surface Area

54.536

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.75

References: we are preparing a list of scientific research reports with 5613-0385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5613-0385?
Check Price and Availability of 5613-0385, 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 5613-0385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5613-0385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5613-0385
  • 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 5613-0385 available by request