3003-0930 Screening compound: 5-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]pentanoic acid

3003-0930 Screening compound: 5-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]pentanoic acid
3003-0930 Screening compound: 5-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]pentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3003-0930
5-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]pentanoic 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

3003-0930

Molecular Formula

C15H18N2O4S (C15 H18 N2 O4 S)

Compound Name

5-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]pentanoic acid

IUPAC name

5-[(6-ethoxy-13-benzothiazol-2-yl)carbamoyl]pentanoic acid

SMILES

CCOc(cc1)cc2c1nc(NC(CCCCC(O)=O)=O)s2

InChI

InChI=1S/C15H18N2O4S/c1-2-21-10-7-8-11-12(9-10)22-15(16-11)17-13(18)5-3-4-6-14(19)20/h7-9H,2-6H2,1H3,(H,19,20)(H,16,17,18)

InChI Key

SEQIYDWLRWGHBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01116200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.286

Distribution Coefficient, logD

-0.542

Water Solubility, LogSw

-2.85

Polar Surface Area

68.657

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

3003-0930 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • Nuclear receptors
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3003-0930 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3003-0930?
Check Price and Availability of 3003-0930, 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 3003-0930 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3003-0930
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3003-0930
  • 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 3003-0930 available by request