C612-1267 Screening compound: ethyl 7-(4-chlorophenyl)-3-[(furan-2-yl)methyl]-1H,2H,3H,4H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate

C612-1267 Screening compound: ethyl 7-(4-chlorophenyl)-3-[(furan-2-yl)methyl]-1H,2H,3H,4H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
C612-1267 Screening compound: ethyl 7-(4-chlorophenyl)-3-[(furan-2-yl)methyl]-1H,2H,3H,4H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-1267
ethyl 7-(4-chlorophenyl)-3-[(furan-2-yl)methyl]-1H,2H,3H,4H-pyrazolo[1,5-a][1,3,5]triazine-8-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

C612-1267

Molecular Formula

C19H19ClN4O3 (C19 H19 ClN4 O3)

Compound Name

ethyl 7-(4-chlorophenyl)-3-[(furan-2-yl)methyl]-1H,2H,3H,4H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate

IUPAC name

ethyl 7-(4-chlorophenyl)-3-[(furan-2-yl)methyl]-1H2H3H4H-pyrazolo[15-a][135]triazine-8-carboxylate

SMILES

CCOC(c1c(NCN(Cc2ccco2)C2)n2nc1-c(cc1)ccc1Cl)=O

InChI

InChI=1S/C19H19ClN4O3/c1-2-26-19(25)16-17(13-5-7-14(20)8-6-13)22-24-12-23(11-21-18(16)24)10-15-4-3-9-27-15/h3-9,21H,2,10-12H2,1H3

InChI Key

WSHPBNDAEDZLNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.483

Distribution Coefficient, logD

3.482

Water Solubility, LogSw

-4.41

Polar Surface Area

57.410

Acid Dissociation Constant (pKa)

18.08

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

C612-1267 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C612-1267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-1267?
Check Price and Availability of C612-1267, 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 C612-1267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-1267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-1267
  • 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 C612-1267 available by request