2488-0092 Screening compound: (2E)-3-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]prop-2-enoic acid

2488-0092 Screening compound: (2E)-3-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]prop-2-enoic acid
2488-0092 Screening compound: (2E)-3-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2488-0092
(2E)-3-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]prop-2-enoic 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

2488-0092

Molecular Formula

C12H10N2O3S (C12 H10 N2 O3 S)

Compound Name

(2E)-3-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]prop-2-enoic acid

IUPAC name

(2E)-3-[(4-methyl-13-benzothiazol-2-yl)carbamoyl]prop-2-enoic acid

SMILES

Cc1cccc2c1nc(NC(/C=C/C(O)=O)=O)s2

InChI

InChI=1S/C12H10N2O3S/c1-7-3-2-4-8-11(7)14-12(18-8)13-9(15)5-6-10(16)17/h2-6H,1H3,(H,16,17)(H,13,14,15)

InChI Key

CGQBOJLXCIXBEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01173070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.826

Distribution Coefficient, logD

-1.632

Water Solubility, LogSw

-3.08

Polar Surface Area

62.303

Acid Dissociation Constant (pKa)

2.94

Base Dissociation Constant (pKb)

2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

2488-0092 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

STING Agonist Library (5895 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
  • Nuclear receptors
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 2488-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2488-0092?
Check Price and Availability of 2488-0092, 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 2488-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2488-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2488-0092
  • 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 2488-0092 available by request