8005-4257 Screening compound: ethyl 2-amino-1,3-benzothiazole-6-carboxylate

8005-4257 Screening compound: ethyl 2-amino-1,3-benzothiazole-6-carboxylate
8005-4257 Screening compound: ethyl 2-amino-1,3-benzothiazole-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-4257
ethyl 2-amino-1,3-benzothiazole-6-carboxylate

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

8005-4257

Molecular Formula

C10H10N2O2S (C10 H10 N2 O2 S)

Compound Name

ethyl 2-amino-1,3-benzothiazole-6-carboxylate

IUPAC name

ethyl 2-amino-13-benzothiazole-6-carboxylate

SMILES

CCOC(c(cc1)cc2c1nc(N)s2)=O

InChI

InChI=1S/C10H10N2O2S/c1-2-14-9(13)6-3-4-7-8(5-6)15-10(11)12-7/h3-5H,2H2,1H3,(H2,11,12)

InChI Key

VYJSGJXWKSDUSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00102724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.574

Distribution Coefficient, logD

2.574

Water Solubility, LogSw

-3.01

Polar Surface Area

51.510

Acid Dissociation Constant (pKa)

20.88

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8005-4257 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Fragments Library (11262 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Proteases
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8005-4257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-4257?
Check Price and Availability of 8005-4257, 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 8005-4257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-4257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-4257
  • 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 8005-4257 available by request