D003-0028 Screening compound: 5-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,2,3-benzothiadiazole

D003-0028 Screening compound: 5-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,2,3-benzothiadiazole
D003-0028 Screening compound: 5-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,2,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D003-0028
5-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,2,3-benzothiadiazole

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

D003-0028

Molecular Formula

C16H15N5OS (C16 H15 N5 OS)

Compound Name

5-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,2,3-benzothiadiazole

IUPAC name

5-[4-(pyridin-2-yl)piperazine-1-carbonyl]-123-benzothiadiazole

SMILES

O=C(c(cc1)cc2c1snn2)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C16H15N5OS/c22-16(12-4-5-14-13(11-12)18-19-23-14)21-9-7-20(8-10-21)15-3-1-2-6-17-15/h1-6,11H,7-10H2

InChI Key

ZIOUJPFUYKYJOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03711755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.226

Distribution Coefficient, logD

2.217

Water Solubility, LogSw

-2.57

Polar Surface Area

50.240

Acid Dissociation Constant (pKa)

24.69

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D003-0028 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D003-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D003-0028?
Check Price and Availability of D003-0028, 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 D003-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D003-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D003-0028
  • 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 D003-0028 available by request