F259-0050 Screening compound: N-(2-benzamido-1,3-benzothiazol-6-yl)-3,4-diethoxybenzamide

F259-0050 Screening compound: N-(2-benzamido-1,3-benzothiazol-6-yl)-3,4-diethoxybenzamide
F259-0050 Screening compound: N-(2-benzamido-1,3-benzothiazol-6-yl)-3,4-diethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F259-0050
N-(2-benzamido-1,3-benzothiazol-6-yl)-3,4-diethoxybenzamide

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

F259-0050

Molecular Formula

C25H23N3O4S (C25 H23 N3 O4 S)

Compound Name

N-(2-benzamido-1,3-benzothiazol-6-yl)-3,4-diethoxybenzamide

IUPAC name

N-(2-benzamido-13-benzothiazol-6-yl)-34-diethoxybenzamide

SMILES

CCOc(ccc(C(Nc(cc1)cc2c1nc(NC(c1ccccc1)=O)s2)=O)c1)c1OCC

InChI

InChI=1S/C25H23N3O4S/c1-3-31-20-13-10-17(14-21(20)32-4-2)24(30)26-18-11-12-19-22(15-18)33-25(27-19)28-23(29)16-8-6-5-7-9-16/h5-15H,3-4H2,1-2H3,(H,26,30)(H,27,28,29)

InChI Key

RELKZPQSFHQVME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14946413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.841

Distribution Coefficient, logD

4.838

Water Solubility, LogSw

-4.56

Polar Surface Area

70.603

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

F259-0050 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F259-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F259-0050?
Check Price and Availability of F259-0050, 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 F259-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F259-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F259-0050
  • 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 F259-0050 available by request