D718-1179 Screening compound: 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)ethyl 3,4,5-trimethoxybenzoate

D718-1179 Screening compound: 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)ethyl 3,4,5-trimethoxybenzoate
D718-1179 Screening compound: 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)ethyl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-1179
2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)ethyl 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

D718-1179

Molecular Formula

C20H19N3O5S2 (C20 H19 N3 O5 S2)

Compound Name

2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)ethyl 3,4,5-trimethoxybenzoate

IUPAC name

2-{7-thia-245-triazatricyclo[6.4.0.0^{26}]dodeca-1(8)35911-pentaen-3-ylsulfanyl}ethyl 345-trimethoxybenzoate

SMILES

COc1cc(C(OCCSc2nnc3sc(cccc4)c4n23)=O)cc(OC)c1OC

InChI

InChI=1S/C20H19N3O5S2/c1-25-14-10-12(11-15(26-2)17(14)27-3)18(24)28-8-9-29-19-21-22-20-23(19)13-6-4-5-7-16(13)30-20/h4-7,10-11H,8-9H2,1-3H3

InChI Key

OHDKJMHHLRWBEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09438907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.494

Distribution Coefficient, logD

3.493

Water Solubility, LogSw

-3.70

Polar Surface Area

66.332

Acid Dissociation Constant (pKa)

25.06

Base Dissociation Constant (pKb)

3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D718-1179 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with D718-1179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1179?
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What is the minimum amount of D718-1179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1179
  • 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 D718-1179 available by request