D718-1181 Screening compound: 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)ethyl 2-thiophenecarboxylate

D718-1181 Screening compound: 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)ethyl 2-thiophenecarboxylate
D718-1181 Screening compound: 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)ethyl 2-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-1181
2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)ethyl 2-thiophenecarboxylate

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

D718-1181

Molecular Formula

C15H11N3O2S3 (C15 H11 N3 O2 S3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cccs1)OCCSc1nnc2sc(cccc3)c3n12

InChI

InChI=1S/C15H11N3O2S3/c19-13(12-6-3-8-21-12)20-7-9-22-14-16-17-15-18(14)10-4-1-2-5-11(10)23-15/h1-6,8H,7,9H2

InChI Key

QGKCYNVBHDWTMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09438910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.625

Distribution Coefficient, logD

3.625

Water Solubility, LogSw

-3.69

Polar Surface Area

44.373

Acid Dissociation Constant (pKa)

25.13

Base Dissociation Constant (pKb)

3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

D718-1181 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D718-1181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1181?
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What is the minimum amount of D718-1181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1181
  • 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 D718-1181 available by request