6040-4689 Screening compound: N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-diethoxybenzamide

6040-4689 Screening compound: N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-diethoxybenzamide
6040-4689 Screening compound: N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-diethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6040-4689
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-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

6040-4689

Molecular Formula

C20H24N2O4S (C20 H24 N2 O4 S)

Compound Name

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

IUPAC name

N-(55-dimethyl-7-oxo-4567-tetrahydro-13-benzothiazol-2-yl)-34-diethoxybenzamide

SMILES

CCOc(ccc(C(Nc1nc(CC(C)(C)CC2=O)c2s1)=O)c1)c1OCC

InChI

InChI=1S/C20H24N2O4S/c1-5-25-15-8-7-12(9-16(15)26-6-2)18(24)22-19-21-13-10-20(3,4)11-14(23)17(13)27-19/h7-9H,5-6,10-11H2,1-4H3,(H,21,22,24)

InChI Key

YVVBDCHSSBUFAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03639875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.556

Distribution Coefficient, logD

3.014

Water Solubility, LogSw

-3.82

Polar Surface Area

62.466

Acid Dissociation Constant (pKa)

7.00

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

6040-4689 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 6040-4689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6040-4689?
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What is the minimum amount of 6040-4689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6040-4689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6040-4689
  • 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 6040-4689 available by request