2608-0921 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

2608-0921 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
2608-0921 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2608-0921
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2,3-dihydro-1,4-benzodioxine-6-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

2608-0921

Molecular Formula

C22H16N2O4S (C22 H16 N2 O4 S)

Compound Name

N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

IUPAC name

N-[3-(13-benzothiazol-2-yl)-4-hydroxyphenyl]-23-dihydro-14-benzodioxine-6-carboxamide

SMILES

Oc(ccc(NC(c(cc1)cc2c1OCCO2)=O)c1)c1-c1nc(cccc2)c2s1

InChI

InChI=1S/C22H16N2O4S/c25-17-7-6-14(12-15(17)22-24-16-3-1-2-4-20(16)29-22)23-21(26)13-5-8-18-19(11-13)28-10-9-27-18/h1-8,11-12,25H,9-10H2,(H,23,26)

InChI Key

WLZMMJJANSLWSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01784026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.543

Distribution Coefficient, logD

4.543

Water Solubility, LogSw

-4.16

Polar Surface Area

65.150

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

2608-0921 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2608-0921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2608-0921?
Check Price and Availability of 2608-0921, 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 2608-0921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2608-0921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2608-0921
  • 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 2608-0921 available by request