8003-5101 Screening compound: 3-[(benzylcarbamothioyl)oxy]-N-(3-methylphenyl)benzamide

8003-5101 Screening compound: 3-[(benzylcarbamothioyl)oxy]-N-(3-methylphenyl)benzamide
8003-5101 Screening compound: 3-[(benzylcarbamothioyl)oxy]-N-(3-methylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-5101
3-[(benzylcarbamothioyl)oxy]-N-(3-methylphenyl)benzamide

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

8003-5101

Molecular Formula

C22H20N2O2S (C22 H20 N2 O2 S)

Compound Name

3-[(benzylcarbamothioyl)oxy]-N-(3-methylphenyl)benzamide

IUPAC name

3-[(benzylcarbamothioyl)oxy]-N-(3-methylphenyl)benzamide

SMILES

Cc1cccc(NC(c2cccc(OC(NCc3ccccc3)=S)c2)=O)c1

InChI

InChI=1S/C22H20N2O2S/c1-16-7-5-11-19(13-16)24-21(25)18-10-6-12-20(14-18)26-22(27)23-15-17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H,23,27)(H,24,25)

InChI Key

FRKAJKRRZUUMMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00735309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.658

Distribution Coefficient, logD

4.658

Water Solubility, LogSw

-4.52

Polar Surface Area

41.691

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

8003-5101 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 8003-5101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-5101?
Check Price and Availability of 8003-5101, 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 8003-5101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-5101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-5101
  • 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 8003-5101 available by request