6040-4761 Screening compound: N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide

6040-4761 Screening compound: N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide
6040-4761 Screening compound: N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6040-4761
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide

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

6040-4761

Molecular Formula

C22H28N2O5S (C22 H28 N2 O5 S)

Compound Name

N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide

IUPAC name

N-(55-dimethyl-7-oxo-4567-tetrahydro-13-benzothiazol-2-yl)-345-triethoxybenzamide

SMILES

CCOc1cc(C(Nc2nc(CC(C)(C)CC3=O)c3s2)=O)cc(OCC)c1OCC

InChI

InChI=1S/C22H28N2O5S/c1-6-27-16-9-13(10-17(28-7-2)18(16)29-8-3)20(26)24-21-23-14-11-22(4,5)12-15(25)19(14)30-21/h9-10H,6-8,11-12H2,1-5H3,(H,23,24,26)

InChI Key

PKRBBUHTYYJVBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03639945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.180

Distribution Coefficient, logD

3.972

Water Solubility, LogSw

-4.23

Polar Surface Area

69.763

Acid Dissociation Constant (pKa)

7.61

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 6040-4761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6040-4761?
Check Price and Availability of 6040-4761, 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 6040-4761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6040-4761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6040-4761
  • 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 6040-4761 available by request