G645-0168 Screening compound: N-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide

G645-0168 Screening compound: N-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide
G645-0168 Screening compound: N-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G645-0168
N-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-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

G645-0168

Molecular Formula

C17H14N2O4S (C17 H14 N2 O4 S)

Compound Name

N-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-(3-ethyl-2-oxo-23-dihydro-13-benzothiazol-6-yl)-2H-13-benzodioxole-5-carboxamide

SMILES

CCN(c(ccc(NC(c(cc1)cc2c1OCO2)=O)c1)c1S1)C1=O

InChI

InChI=1S/C17H14N2O4S/c1-2-19-12-5-4-11(8-15(12)24-17(19)21)18-16(20)10-3-6-13-14(7-10)23-9-22-13/h3-8H,2,9H2,1H3,(H,18,20)

InChI Key

UCVVMIJPHSONEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15025836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.603

Distribution Coefficient, logD

3.603

Water Solubility, LogSw

-3.93

Polar Surface Area

56.014

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

G645-0168 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G645-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G645-0168?
Check Price and Availability of G645-0168, 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 G645-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G645-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G645-0168
  • 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 G645-0168 available by request