D003-0072 Screening compound: N-benzyl-1,2,3-benzothiadiazole-5-carboxamide

D003-0072 Screening compound: N-benzyl-1,2,3-benzothiadiazole-5-carboxamide
D003-0072 Screening compound: N-benzyl-1,2,3-benzothiadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D003-0072
N-benzyl-1,2,3-benzothiadiazole-5-carboxamide

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

D003-0072

Molecular Formula

C14H11N3OS (C14 H11 N3 OS)

Compound Name

N-benzyl-1,2,3-benzothiadiazole-5-carboxamide

IUPAC name

N-benzyl-123-benzothiadiazole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1snn2)NCc1ccccc1

InChI

InChI=1S/C14H11N3OS/c18-14(15-9-10-4-2-1-3-5-10)11-6-7-13-12(8-11)16-17-19-13/h1-8H,9H2,(H,15,18)

InChI Key

WXFLHDRJOWOWAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01935428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.592

Distribution Coefficient, logD

2.592

Water Solubility, LogSw

-3.13

Polar Surface Area

46.233

Acid Dissociation Constant (pKa)

11.62

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

D003-0072 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D003-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D003-0072?
Check Price and Availability of D003-0072, 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 D003-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D003-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D003-0072
  • 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 D003-0072 available by request