2018-0184 Screening compound: 1-[(E)-[(benzenesulfonyl)imino](phenyl)methyl]-3-(2-methylphenyl)thiourea

2018-0184 Screening compound: 1-[(E)-[(benzenesulfonyl)imino](phenyl)methyl]-3-(2-methylphenyl)thiourea
2018-0184 Screening compound: 1-[(E)-[(benzenesulfonyl)imino](phenyl)methyl]-3-(2-methylphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 2018-0184
1-[(E)-[(benzenesulfonyl)imino](phenyl)methyl]-3-(2-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

2018-0184

Molecular Formula

C21H19N3O2S2 (C21 H19 N3 O2 S2)

Compound Name

1-[(E)-[(benzenesulfonyl)imino](phenyl)methyl]-3-(2-methylphenyl)thiourea

IUPAC name

1-[(E)-[(benzenesulfonyl)imino](phenyl)methyl]-3-(2-methylphenyl)thiourea

SMILES

Cc(cccc1)c1NC(N/C(/c1ccccc1)=N/S(c1ccccc1)(=O)=O)=S

InChI

InChI=1S/C21H19N3O2S2/c1-16-10-8-9-15-19(16)22-21(27)23-20(17-11-4-2-5-12-17)24-28(25,26)18-13-6-3-7-14-18/h2-15H,1H3,(H2,22,23,24,27)

InChI Key

QFIDGSBZLKVQGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01002026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.53

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

4.325

Distribution Coefficient, logD

4.320

Water Solubility, LogSw

-4.29

Polar Surface Area

57.901

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

-2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 2018-0184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2018-0184?
Check Price and Availability of 2018-0184, 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 2018-0184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2018-0184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2018-0184
  • 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 2018-0184 available by request