5867-4003 Screening compound: ethyl 2-[2-({4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

5867-4003 Screening compound: ethyl 2-[2-({4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
5867-4003 Screening compound: ethyl 2-[2-({4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5867-4003
ethyl 2-[2-({4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-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

5867-4003

Molecular Formula

C24H24N4O3S2 (C24 H24 N4 O3 S2)

Compound Name

ethyl 2-[2-({4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-[2-({4-methyl-[124]triazolo[43-a]quinolin-1-yl}sulfanyl)acetamido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CSc2nnc3n2c(cccc2)c2cc3C)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C24H24N4O3S2/c1-3-31-23(30)20-16-9-5-7-11-18(16)33-22(20)25-19(29)13-32-24-27-26-21-14(2)12-15-8-4-6-10-17(15)28(21)24/h4,6,8,10,12H,3,5,7,9,11,13H2,1-2H3,(H,25,29)

InChI Key

KHBNOJCMIONJGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01181878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.048

Distribution Coefficient, logD

3.024

Water Solubility, LogSw

-5.26

Polar Surface Area

65.246

Acid Dissociation Constant (pKa)

5.38

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

5867-4003 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 5867-4003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5867-4003?
Check Price and Availability of 5867-4003, 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 5867-4003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5867-4003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5867-4003
  • 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 5867-4003 available by request