4386-3911 Screening compound: 3-[2-(4-sulfamoylphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]thiourea

4386-3911 Screening compound: 3-[2-(4-sulfamoylphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]thiourea
4386-3911 Screening compound: 3-[2-(4-sulfamoylphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4386-3911
3-[2-(4-sulfamoylphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]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

4386-3911

Molecular Formula

C16H16F3N3O2S2 (C16 H16 F3 N3 O2 S2)

Compound Name

3-[2-(4-sulfamoylphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]thiourea

IUPAC name

3-[2-(4-sulfamoylphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]thiourea

SMILES

NS(c1ccc(CCNC(Nc2cc(C(F)(F)F)ccc2)=S)cc1)(=O)=O

InChI

InChI=1S/C16H16F3N3O2S2/c17-16(18,19)12-2-1-3-13(10-12)22-15(25)21-9-8-11-4-6-14(7-5-11)26(20,23)24/h1-7,10H,8-9H2,(H2,20,23,24)(H2,21,22,25)

InChI Key

FWEBSKGSGJVPEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03016992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.672

Distribution Coefficient, logD

2.672

Water Solubility, LogSw

-3.17

Polar Surface Area

70.828

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

4386-3911 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4386-3911 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4386-3911?
Check Price and Availability of 4386-3911, 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 4386-3911 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4386-3911
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4386-3911
  • 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 4386-3911 available by request