3617-1018 Screening compound: N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-propoxybenzamide

3617-1018 Screening compound: N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-propoxybenzamide
3617-1018 Screening compound: N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-propoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3617-1018
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-propoxybenzamide

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

3617-1018

Molecular Formula

C17H17N3O2S (C17 H17 N3 O2 S)

Compound Name

N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-propoxybenzamide

IUPAC name

N-(5-methyl-213-benzothiadiazol-4-yl)-3-propoxybenzamide

SMILES

CCCOc1cccc(C(Nc2c(C)ccc3nsnc23)=O)c1

InChI

InChI=1S/C17H17N3O2S/c1-3-9-22-13-6-4-5-12(10-13)17(21)18-15-11(2)7-8-14-16(15)20-23-19-14/h4-8,10H,3,9H2,1-2H3,(H,18,21)

InChI Key

RJLBKFDUHRHVHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02218014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.031

Distribution Coefficient, logD

4.028

Water Solubility, LogSw

-4.01

Polar Surface Area

50.304

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

3617-1018 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3617-1018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3617-1018?
Check Price and Availability of 3617-1018, 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 3617-1018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3617-1018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3617-1018
  • 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 3617-1018 available by request