8003-7764 Screening compound: 2-amino-5,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one

8003-7764 Screening compound: 2-amino-5,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one
8003-7764 Screening compound: 2-amino-5,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-7764
2-amino-5,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one

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

8003-7764

Molecular Formula

C9H12N2OS (C9 H12 N2 OS)

Compound Name

2-amino-5,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one

IUPAC name

2-amino-55-dimethyl-4567-tetrahydro-13-benzothiazol-7-one

SMILES

CC(C)(Cc1c2sc(N)n1)CC2=O

InChI

InChI=1S/C9H12N2OS/c1-9(2)3-5-7(6(12)4-9)13-8(10)11-5/h3-4H2,1-2H3,(H2,10,11)

InChI Key

KFWIDHVBJCCTNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00170187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

196.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.673

Distribution Coefficient, logD

1.673

Water Solubility, LogSw

-1.81

Polar Surface Area

45.711

Acid Dissociation Constant (pKa)

17.29

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

8003-7764 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

GABA Library (7115 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8003-7764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-7764?
Check Price and Availability of 8003-7764, 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 8003-7764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-7764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-7764
  • 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 8003-7764 available by request