G645-0026 Screening compound: 2,2-dimethyl-N-(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)propanamide

G645-0026 Screening compound: 2,2-dimethyl-N-(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)propanamide
G645-0026 Screening compound: 2,2-dimethyl-N-(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G645-0026
2,2-dimethyl-N-(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)propanamide

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

G645-0026

Molecular Formula

C13H16N2O2S (C13 H16 N2 O2 S)

Compound Name

2,2-dimethyl-N-(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)propanamide

IUPAC name

22-dimethyl-N-(3-methyl-2-oxo-23-dihydro-13-benzothiazol-6-yl)propanamide

SMILES

CC(C)(C)C(Nc(cc1)cc(S2)c1N(C)C2=O)=O

InChI

InChI=1S/C13H16N2O2S/c1-13(2,3)11(16)14-8-5-6-9-10(7-8)18-12(17)15(9)4/h5-7H,1-4H3,(H,14,16)

InChI Key

KUEOZBBRJWDJCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27148675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.853

Distribution Coefficient, logD

2.853

Water Solubility, LogSw

-3.47

Polar Surface Area

39.211

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

G645-0026 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G645-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G645-0026?
Check Price and Availability of G645-0026, 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 G645-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G645-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G645-0026
  • 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 G645-0026 available by request