6466-1252 Screening compound: propyl 5-carbamoyl-4-methyl-2-{[1,2,4]triazolo[1,5-a]pyrimidine-2-amido}thiophene-3-carboxylate

6466-1252 Screening compound: propyl 5-carbamoyl-4-methyl-2-{[1,2,4]triazolo[1,5-a]pyrimidine-2-amido}thiophene-3-carboxylate
6466-1252 Screening compound: propyl 5-carbamoyl-4-methyl-2-{[1,2,4]triazolo[1,5-a]pyrimidine-2-amido}thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-1252
propyl 5-carbamoyl-4-methyl-2-{[1,2,4]triazolo[1,5-a]pyrimidine-2-amido}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

6466-1252

Molecular Formula

C16H16N6O4S (C16 H16 N6 O4 S)

Compound Name

propyl 5-carbamoyl-4-methyl-2-{[1,2,4]triazolo[1,5-a]pyrimidine-2-amido}thiophene-3-carboxylate

IUPAC name

propyl 5-carbamoyl-4-methyl-2-{[124]triazolo[15-a]pyrimidine-2-amido}thiophene-3-carboxylate

SMILES

CCCOC(c1c(NC(c2nn(cccn3)c3n2)=O)sc(C(N)=O)c1C)=O

InChI

InChI=1S/C16H16N6O4S/c1-3-7-26-15(25)9-8(2)10(11(17)23)27-14(9)20-13(24)12-19-16-18-5-4-6-22(16)21-12/h4-6H,3,7H2,1-2H3,(H2,17,23)(H,20,24)

InChI Key

DKJSINWGFCIQOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03043333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.385

Distribution Coefficient, logD

-4.050

Water Solubility, LogSw

-2.16

Polar Surface Area

109.849

Acid Dissociation Constant (pKa)

2.96

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6466-1252 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6466-1252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-1252?
Check Price and Availability of 6466-1252, 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 6466-1252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-1252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-1252
  • 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 6466-1252 available by request