6404-0031 Screening compound: 2-oxo-2-(2-phenylindolizin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

6404-0031 Screening compound: 2-oxo-2-(2-phenylindolizin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
6404-0031 Screening compound: 2-oxo-2-(2-phenylindolizin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6404-0031
2-oxo-2-(2-phenylindolizin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

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

6404-0031

Molecular Formula

C23H19N3O2S (C23 H19 N3 O2 S)

Compound Name

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

IUPAC name

2-oxo-2-(2-phenylindolizin-3-yl)-N-(4567-tetrahydro-13-benzothiazol-2-yl)acetamide

SMILES

O=C(C(Nc1nc(CCCC2)c2s1)=O)c(n(cccc1)c1c1)c1-c1ccccc1

InChI

InChI=1S/C23H19N3O2S/c27-21(22(28)25-23-24-18-11-4-5-12-19(18)29-23)20-17(15-8-2-1-3-9-15)14-16-10-6-7-13-26(16)20/h1-3,6-10,13-14H,4-5,11-12H2,(H,24,25,28)

InChI Key

PKKJUUUBNDOBPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05239585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.471

Distribution Coefficient, logD

4.922

Water Solubility, LogSw

-5.74

Polar Surface Area

46.947

Acid Dissociation Constant (pKa)

7.00

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

6404-0031 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Covalent Inhibitors Library (7986 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Targets:
  • Others

References: we are preparing a list of scientific research reports with 6404-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6404-0031?
Check Price and Availability of 6404-0031, 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 6404-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6404-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6404-0031
  • 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 6404-0031 available by request