8016-5598 Screening compound: (1,3-benzothiazol-2-yl)methyl 3,4,5-trimethoxybenzoate

8016-5598 Screening compound: (1,3-benzothiazol-2-yl)methyl 3,4,5-trimethoxybenzoate
8016-5598 Screening compound: (1,3-benzothiazol-2-yl)methyl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5598
(1,3-benzothiazol-2-yl)methyl 3,4,5-trimethoxybenzoate

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

8016-5598

Molecular Formula

C18H17NO5S (C18 H17 NO5 S)

Compound Name

(1,3-benzothiazol-2-yl)methyl 3,4,5-trimethoxybenzoate

IUPAC name

(13-benzothiazol-2-yl)methyl 345-trimethoxybenzoate

SMILES

COc1cc(C(OCc2nc(cccc3)c3s2)=O)cc(OC)c1OC

InChI

InChI=1S/C18H17NO5S/c1-21-13-8-11(9-14(22-2)17(13)23-3)18(20)24-10-16-19-12-6-4-5-7-15(12)25-16/h4-9H,10H2,1-3H3

InChI Key

LFEVLKCCBMEZBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02713167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.758

Distribution Coefficient, logD

3.758

Water Solubility, LogSw

-4.03

Polar Surface Area

54.290

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 8016-5598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5598?
Check Price and Availability of 8016-5598, 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 8016-5598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5598
  • 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 8016-5598 available by request