C502-0069 Screening compound: N'-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide

C502-0069 Screening compound: N'-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
C502-0069 Screening compound: N'-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound C502-0069
N'-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide

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

C502-0069

Molecular Formula

C17H15N3O4S (C17 H15 N3 O4 S)

Compound Name

N'-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide

IUPAC name

N'-(4-methoxy-13-benzothiazol-2-yl)-23-dihydro-14-benzodioxine-6-carbohydrazide

SMILES

COc1cccc2c1nc(NNC(c(cc1)cc3c1OCCO3)=O)s2

InChI

InChI=1S/C17H15N3O4S/c1-22-12-3-2-4-14-15(12)18-17(25-14)20-19-16(21)10-5-6-11-13(9-10)24-8-7-23-11/h2-6,9H,7-8H2,1H3,(H,18,20)(H,19,21)

InChI Key

FTGMYJIZILNDLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04467833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.479

Distribution Coefficient, logD

2.478

Water Solubility, LogSw

-2.97

Polar Surface Area

71.241

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

C502-0069 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C502-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C502-0069?
Check Price and Availability of C502-0069, 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 C502-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C502-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C502-0069
  • 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 C502-0069 available by request