G857-0540 Screening compound: 1-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide

G857-0540 Screening compound: 1-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide
G857-0540 Screening compound: 1-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-0540
1-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-oxo-1,2-dihydropyridine-3-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

G857-0540

Molecular Formula

C22H19N3O3S (C22 H19 N3 O3 S)

Compound Name

1-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide

IUPAC name

1-benzyl-N-(6-ethoxy-13-benzothiazol-2-yl)-2-oxo-12-dihydropyridine-3-carboxamide

SMILES

CCOc(cc1)cc2c1nc(NC(C1=CC=CN(Cc3ccccc3)C1=O)=O)s2

InChI

InChI=1S/C22H19N3O3S/c1-2-28-16-10-11-18-19(13-16)29-22(23-18)24-20(26)17-9-6-12-25(21(17)27)14-15-7-4-3-5-8-15/h3-13H,2,14H2,1H3,(H,23,24,26)

InChI Key

VSCREWXEPJSMBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07652704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.158

Distribution Coefficient, logD

3.910

Water Solubility, LogSw

-4.18

Polar Surface Area

55.929

Acid Dissociation Constant (pKa)

7.51

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G857-0540 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Peptidomimetic Library (37031 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G857-0540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-0540?
Check Price and Availability of G857-0540, 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 G857-0540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-0540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-0540
  • 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 G857-0540 available by request