4486-0098 Screening compound: ethyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate

4486-0098 Screening compound: ethyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
4486-0098 Screening compound: ethyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4486-0098
ethyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate

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

4486-0098

Molecular Formula

C11H11NO2S2 (C11 H11 NO2 S2)

Compound Name

ethyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate

IUPAC name

ethyl 2-(13-benzothiazol-2-ylsulfanyl)acetate

SMILES

CCOC(CSc1nc(cccc2)c2s1)=O

InChI

InChI=1S/C11H11NO2S2/c1-2-14-10(13)7-15-11-12-8-5-3-4-6-9(8)16-11/h3-6H,2,7H2,1H3

InChI Key

OOZLAJJSFPATME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00171197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

253.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.410

Distribution Coefficient, logD

3.410

Water Solubility, LogSw

-3.55

Polar Surface Area

29.479

Acid Dissociation Constant (pKa)

20.07

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 4486-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4486-0098?
Check Price and Availability of 4486-0098, 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 4486-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4486-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4486-0098
  • 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 4486-0098 available by request