7213-0467 Screening compound: 2,4-diethyl 3-methyl-5-{[1,2,4]triazolo[1,5-a]pyrimidine-2-amido}thiophene-2,4-dicarboxylate

7213-0467 Screening compound: 2,4-diethyl 3-methyl-5-{[1,2,4]triazolo[1,5-a]pyrimidine-2-amido}thiophene-2,4-dicarboxylate
7213-0467 Screening compound: 2,4-diethyl 3-methyl-5-{[1,2,4]triazolo[1,5-a]pyrimidine-2-amido}thiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7213-0467
2,4-diethyl 3-methyl-5-{[1,2,4]triazolo[1,5-a]pyrimidine-2-amido}thiophene-2,4-dicarboxylate

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

7213-0467

Molecular Formula

C17H17N5O5S (C17 H17 N5 O5 S)

Compound Name

2,4-diethyl 3-methyl-5-{[1,2,4]triazolo[1,5-a]pyrimidine-2-amido}thiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 3-methyl-5-{[124]triazolo[15-a]pyrimidine-2-amido}thiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(c2nn(cccn3)c3n2)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C17H17N5O5S/c1-4-26-15(24)10-9(3)11(16(25)27-5-2)28-14(10)20-13(23)12-19-17-18-7-6-8-22(17)21-12/h6-8H,4-5H2,1-3H3,(H,20,23)

InChI Key

UHJWIKHWWBDOIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02056213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.399

Distribution Coefficient, logD

-2.010

Water Solubility, LogSw

-2.40

Polar Surface Area

96.249

Acid Dissociation Constant (pKa)

3.99

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

7213-0467 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Autophagy-Targeted Library (4564 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 7213-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7213-0467?
Check Price and Availability of 7213-0467, 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 7213-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7213-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7213-0467
  • 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 7213-0467 available by request