D003-1059 Screening compound: N-(1,2,3-benzothiadiazol-5-yl)-N'-[4-(methylsulfanyl)phenethyl]urea

D003-1059 Screening compound: N-(1,2,3-benzothiadiazol-5-yl)-N'-[4-(methylsulfanyl)phenethyl]urea
D003-1059 Screening compound: N-(1,2,3-benzothiadiazol-5-yl)-N'-[4-(methylsulfanyl)phenethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D003-1059
N-(1,2,3-benzothiadiazol-5-yl)-N'-[4-(methylsulfanyl)phenethyl]urea

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

D003-1059

Molecular Formula

C16H16N4OS2 (C16 H16 N4 OS2)

Compound Name

N-(1,2,3-benzothiadiazol-5-yl)-N'-[4-(methylsulfanyl)phenethyl]urea

IUPAC name

n/a

SMILES

CSc1ccc(CCNC(Nc(cc2)cc3c2snn3)=O)cc1

InChI

InChI=1S/C16H16N4OS2/c1-22-13-5-2-11(3-6-13)8-9-17-16(21)18-12-4-7-15-14(10-12)19-20-23-15/h2-7,10H,8-9H2,1H3,(H2,17,18,21)

InChI Key

KHGPHKLPTIOGDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.778

Distribution Coefficient, logD

3.778

Water Solubility, LogSw

-4.01

Polar Surface Area

55.286

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

D003-1059 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D003-1059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D003-1059?
Check Price and Availability of D003-1059, 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 D003-1059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D003-1059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D003-1059
  • 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 D003-1059 available by request