8011-4629 Screening compound: 4-[(1,3-benzothiazol-2-yl)carbamoyl]butanoic acid

8011-4629 Screening compound: 4-[(1,3-benzothiazol-2-yl)carbamoyl]butanoic acid
8011-4629 Screening compound: 4-[(1,3-benzothiazol-2-yl)carbamoyl]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-4629
4-[(1,3-benzothiazol-2-yl)carbamoyl]butanoic 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

8011-4629

Molecular Formula

C12H12N2O3S (C12 H12 N2 O3 S)

Compound Name

4-[(1,3-benzothiazol-2-yl)carbamoyl]butanoic acid

IUPAC name

4-[(13-benzothiazol-2-yl)carbamoyl]butanoic acid

SMILES

OC(CCCC(Nc1nc(cccc2)c2s1)=O)=O

InChI

InChI=1S/C12H12N2O3S/c15-10(6-3-7-11(16)17)14-12-13-8-4-1-2-5-9(8)18-12/h1-2,4-5H,3,6-7H2,(H,16,17)(H,13,14,15)

InChI Key

VWJNBVIMTRPISG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00440809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.600

Distribution Coefficient, logD

-0.997

Water Solubility, LogSw

-2.15

Polar Surface Area

61.533

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8011-4629 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

Fragments Library (11262 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8011-4629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-4629?
Check Price and Availability of 8011-4629, 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 8011-4629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-4629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-4629
  • 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 8011-4629 available by request