3382-0954 Screening compound: dimethyl-1,3-thiazole-5-carboxylic acid

3382-0954 Screening compound: dimethyl-1,3-thiazole-5-carboxylic acid
3382-0954 Screening compound: dimethyl-1,3-thiazole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3382-0954
dimethyl-1,3-thiazole-5-carboxylic acid

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

3382-0954

Molecular Formula

C6H7NO2S (C6 H7 NO2 S)

Compound Name

dimethyl-1,3-thiazole-5-carboxylic acid

IUPAC name

dimethyl-13-thiazole-5-carboxylic acid

SMILES

Cc1c(C(O)=O)sc(C)n1

InChI

InChI=1S/C6H7NO2S/c1-3-5(6(8)9)10-4(2)7-3/h1-2H3,(H,8,9)

InChI Key

MQGBARXPCXAFRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00052943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

157.19

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

0.987

Distribution Coefficient, logD

-3.489

Water Solubility, LogSw

-1.28

Polar Surface Area

39.035

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3382-0954 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

GABA Library (7115 compounds)

STING Agonist Library (5895 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Eye
  • Cancer
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Others
  • Kinases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3382-0954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3382-0954?
Check Price and Availability of 3382-0954, 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 3382-0954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3382-0954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3382-0954
  • 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 3382-0954 available by request