4502-0398 Screening compound: 4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]butanoic acid

4502-0398 Screening compound: 4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]butanoic acid
4502-0398 Screening compound: 4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4502-0398
4-[(6-methyl-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

4502-0398

Molecular Formula

C13H14N2O3S (C13 H14 N2 O3 S)

Compound Name

4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]butanoic acid

IUPAC name

4-[(6-methyl-13-benzothiazol-2-yl)carbamoyl]butanoic acid

SMILES

Cc(cc1)cc2c1nc(NC(CCCC(O)=O)=O)s2

InChI

InChI=1S/C13H14N2O3S/c1-8-5-6-9-10(7-8)19-13(14-9)15-11(16)3-2-4-12(17)18/h5-7H,2-4H2,1H3,(H,17,18)(H,14,15,16)

InChI Key

JAEYIQNGPRGYDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01921555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.33

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

1.988

Distribution Coefficient, logD

-0.609

Water Solubility, LogSw

-2.59

Polar Surface Area

61.533

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

4502-0398 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Arginase Targeted Library (2009 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

STING Agonist Library (5895 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Immune system
Targets:
  • Others
  • Kinases
  • Nuclear receptors
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4502-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4502-0398?
Check Price and Availability of 4502-0398, 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 4502-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4502-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4502-0398
  • 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 4502-0398 available by request