3814-0761 Screening compound: 3-[4-(diethylsulfamoyl)phenyl]-1-phenylthiourea

3814-0761 Screening compound: 3-[4-(diethylsulfamoyl)phenyl]-1-phenylthiourea
3814-0761 Screening compound: 3-[4-(diethylsulfamoyl)phenyl]-1-phenylthiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3814-0761
3-[4-(diethylsulfamoyl)phenyl]-1-phenylthiourea

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

3814-0761

Molecular Formula

C17H21N3O2S2 (C17 H21 N3 O2 S2)

Compound Name

3-[4-(diethylsulfamoyl)phenyl]-1-phenylthiourea

IUPAC name

3-[4-(diethylsulfamoyl)phenyl]-1-phenylthiourea

SMILES

CCN(CC)S(c(cc1)ccc1NC(Nc1ccccc1)=S)(=O)=O

InChI

InChI=1S/C17H21N3O2S2/c1-3-20(4-2)24(21,22)16-12-10-15(11-13-16)19-17(23)18-14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3,(H2,18,19,23)

InChI Key

DDLCWFOEDHGEDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02020686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.532

Distribution Coefficient, logD

3.532

Water Solubility, LogSw

-3.78

Polar Surface Area

50.157

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

3814-0761 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3814-0761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3814-0761?
Check Price and Availability of 3814-0761, 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 3814-0761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3814-0761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3814-0761
  • 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 3814-0761 available by request