D003-0078 Screening compound: N-(1,2,3-benzothiadiazol-5-yl)-N'-benzylurea

D003-0078 Screening compound: N-(1,2,3-benzothiadiazol-5-yl)-N'-benzylurea
D003-0078 Screening compound: N-(1,2,3-benzothiadiazol-5-yl)-N'-benzylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound D003-0078
N-(1,2,3-benzothiadiazol-5-yl)-N'-benzylurea

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

D003-0078

Molecular Formula

C14H12N4OS (C14 H12 N4 OS)

Compound Name

N-(1,2,3-benzothiadiazol-5-yl)-N'-benzylurea

IUPAC name

n/a

SMILES

O=C(NCc1ccccc1)Nc(cc1)cc2c1snn2

InChI

InChI=1S/C14H12N4OS/c19-14(15-9-10-4-2-1-3-5-10)16-11-6-7-13-12(8-11)17-18-20-13/h1-8H,9H2,(H2,15,16,19)

InChI Key

NHWULSLOMIMZAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03712125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.883

Distribution Coefficient, logD

2.883

Water Solubility, LogSw

-3.37

Polar Surface Area

55.445

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

D003-0078 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D003-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D003-0078?
Check Price and Availability of D003-0078, 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 D003-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D003-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D003-0078
  • 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 D003-0078 available by request