5408-3415 Screening compound: 1-(2,1,3-benzothiadiazol-5-yl)-3-(prop-2-en-1-yl)thiourea

5408-3415 Screening compound: 1-(2,1,3-benzothiadiazol-5-yl)-3-(prop-2-en-1-yl)thiourea
5408-3415 Screening compound: 1-(2,1,3-benzothiadiazol-5-yl)-3-(prop-2-en-1-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-3415
1-(2,1,3-benzothiadiazol-5-yl)-3-(prop-2-en-1-yl)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

5408-3415

Molecular Formula

C10H10N4S2 (C10 H10 N4 S2)

Compound Name

1-(2,1,3-benzothiadiazol-5-yl)-3-(prop-2-en-1-yl)thiourea

IUPAC name

1-(213-benzothiadiazol-5-yl)-3-(prop-2-en-1-yl)thiourea

SMILES

C=CCNC(Nc1cc2nsnc2cc1)=S

InChI

InChI=1S/C10H10N4S2/c1-2-5-11-10(15)12-7-3-4-8-9(6-7)14-16-13-8/h2-4,6H,1,5H2,(H2,11,12,15)

InChI Key

POWSCUSRTQLTBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03711375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.552

Distribution Coefficient, logD

2.552

Water Solubility, LogSw

-2.72

Polar Surface Area

40.678

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

5408-3415 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 5408-3415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-3415?
Check Price and Availability of 5408-3415, 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 5408-3415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-3415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-3415
  • 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 5408-3415 available by request