6404-0007 Screening compound: 2-(1H-indol-3-yl)-2-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

6404-0007 Screening compound: 2-(1H-indol-3-yl)-2-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
6404-0007 Screening compound: 2-(1H-indol-3-yl)-2-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6404-0007
2-(1H-indol-3-yl)-2-oxo-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

6404-0007

Molecular Formula

C17H15N3O2S (C17 H15 N3 O2 S)

Compound Name

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

IUPAC name

2-(1H-indol-3-yl)-2-oxo-N-(4567-tetrahydro-13-benzothiazol-2-yl)acetamide

SMILES

O=C(C(Nc1nc(CCCC2)c2s1)=O)c1c[nH]c2c1cccc2

InChI

InChI=1S/C17H15N3O2S/c21-15(11-9-18-12-6-2-1-5-10(11)12)16(22)20-17-19-13-7-3-4-8-14(13)23-17/h1-2,5-6,9,18H,3-4,7-8H2,(H,19,20,22)

InChI Key

GYJFUYARPQXHLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04214872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.061

Distribution Coefficient, logD

2.528

Water Solubility, LogSw

-4.20

Polar Surface Area

58.407

Acid Dissociation Constant (pKa)

5.88

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

6404-0007 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Anti-HIV1 Library (19540 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
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others
  • Others
Mechanism of action:
  • Epigenetic
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 6404-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6404-0007?
Check Price and Availability of 6404-0007, 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 6404-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6404-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6404-0007
  • 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 6404-0007 available by request