6481-7319 Screening compound: ethyl 4,5-dimethyl-2-(2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}acetamido)thiophene-3-carboxylate

6481-7319 Screening compound: ethyl 4,5-dimethyl-2-(2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}acetamido)thiophene-3-carboxylate
6481-7319 Screening compound: ethyl 4,5-dimethyl-2-(2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}acetamido)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6481-7319
ethyl 4,5-dimethyl-2-(2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}acetamido)thiophene-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

6481-7319

Molecular Formula

C21H20N4O3S2 (C21 H20 N4 O3 S2)

Compound Name

ethyl 4,5-dimethyl-2-(2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}acetamido)thiophene-3-carboxylate

IUPAC name

ethyl 45-dimethyl-2-(2-{[124]triazolo[43-a]quinolin-1-ylsulfanyl}acetamido)thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CSc2nnc3n2c(cccc2)c2cc3)=O)sc(C)c1C)=O

InChI

InChI=1S/C21H20N4O3S2/c1-4-28-20(27)18-12(2)13(3)30-19(18)22-17(26)11-29-21-24-23-16-10-9-14-7-5-6-8-15(14)25(16)21/h5-10H,4,11H2,1-3H3,(H,22,26)

InChI Key

HSUYKMZPYGGJNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04217606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.55

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

4.090

Distribution Coefficient, logD

2.024

Water Solubility, LogSw

-4.47

Polar Surface Area

64.779

Acid Dissociation Constant (pKa)

5.34

Base Dissociation Constant (pKb)

2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

6481-7319 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 6481-7319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6481-7319?
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What is the minimum amount of 6481-7319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6481-7319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6481-7319
  • 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 6481-7319 available by request