7213-0470 Screening compound: 2-ethyl 4-methyl 3-methyl-5-{[1,2,4]triazolo[1,5-a]pyrimidine-2-amido}thiophene-2,4-dicarboxylate

7213-0470 Screening compound: 2-ethyl 4-methyl 3-methyl-5-{[1,2,4]triazolo[1,5-a]pyrimidine-2-amido}thiophene-2,4-dicarboxylate
7213-0470 Screening compound: 2-ethyl 4-methyl 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 7213-0470
2-ethyl 4-methyl 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

7213-0470

Molecular Formula

C16H15N5O5S (C16 H15 N5 O5 S)

Compound Name

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

IUPAC name

2-ethyl 4-methyl 3-methyl-5-{[124]triazolo[15-a]pyrimidine-2-amido}thiophene-24-dicarboxylate

SMILES

CCOC(c1c(C)c(C(OC)=O)c(NC(c2nn(cccn3)c3n2)=O)s1)=O

InChI

InChI=1S/C16H15N5O5S/c1-4-26-15(24)10-8(2)9(14(23)25-3)13(27-10)19-12(22)11-18-16-17-6-5-7-21(16)20-11/h5-7H,4H2,1-3H3,(H,19,22)

InChI Key

MTNDVCNEIIJXQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03110972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.017

Distribution Coefficient, logD

-2.392

Water Solubility, LogSw

-2.34

Polar Surface Area

96.670

Acid Dissociation Constant (pKa)

3.99

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

7213-0470 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 7213-0470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7213-0470?
Check Price and Availability of 7213-0470, 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 7213-0470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7213-0470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7213-0470
  • 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 7213-0470 available by request