C502-0657 Screening compound: N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide

C502-0657 Screening compound: N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
C502-0657 Screening compound: N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound C502-0657
N'-(4,7-dimethoxy-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

C502-0657

Molecular Formula

C18H17N3O5S (C18 H17 N3 O5 S)

Compound Name

N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide

IUPAC name

N'-(47-dimethoxy-13-benzothiazol-2-yl)-23-dihydro-14-benzodioxine-6-carbohydrazide

SMILES

COc(cc1)c2nc(NNC(c(cc3)cc4c3OCCO4)=O)sc2c1OC

InChI

InChI=1S/C18H17N3O5S/c1-23-12-5-6-13(24-2)16-15(12)19-18(27-16)21-20-17(22)10-3-4-11-14(9-10)26-8-7-25-11/h3-6,9H,7-8H2,1-2H3,(H,19,21)(H,20,22)

InChI Key

YXVKOIAPTSWKDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04468130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.399

Distribution Coefficient, logD

2.398

Water Solubility, LogSw

-2.93

Polar Surface Area

78.872

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with C502-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C502-0657?
Check Price and Availability of C502-0657, 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 C502-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C502-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C502-0657
  • 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 C502-0657 available by request