0478-0690 Screening compound: ethyl 2-(2,4-dichlorobenzamido)-1,3-benzothiazole-6-carboxylate

0478-0690 Screening compound: ethyl 2-(2,4-dichlorobenzamido)-1,3-benzothiazole-6-carboxylate
0478-0690 Screening compound: ethyl 2-(2,4-dichlorobenzamido)-1,3-benzothiazole-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0478-0690
ethyl 2-(2,4-dichlorobenzamido)-1,3-benzothiazole-6-carboxylate

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

0478-0690

Molecular Formula

C17H12Cl2N2O3S (C17 H12 Cl2 N2 O3 S)

Compound Name

ethyl 2-(2,4-dichlorobenzamido)-1,3-benzothiazole-6-carboxylate

IUPAC name

ethyl 2-(24-dichlorobenzamido)-13-benzothiazole-6-carboxylate

SMILES

CCOC(c(cc1)cc2c1nc(NC(c(ccc(Cl)c1)c1Cl)=O)s2)=O

InChI

InChI=1S/C17H12Cl2N2O3S/c1-2-24-16(23)9-3-6-13-14(7-9)25-17(20-13)21-15(22)11-5-4-10(18)8-12(11)19/h3-8H,2H2,1H3,(H,20,21,22)

InChI Key

IUXUCSWPQVSSBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00372664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.662

Distribution Coefficient, logD

5.518

Water Solubility, LogSw

-5.93

Polar Surface Area

53.845

Acid Dissociation Constant (pKa)

7.81

Base Dissociation Constant (pKb)

-3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

0478-0690 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 0478-0690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0478-0690?
Check Price and Availability of 0478-0690, 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 0478-0690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0478-0690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0478-0690
  • 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 0478-0690 available by request