C374-1609 Screening compound: ethyl 4-[1-(4-chlorophenyl)-6-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]benzoate

C374-1609 Screening compound: ethyl 4-[1-(4-chlorophenyl)-6-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]benzoate
C374-1609 Screening compound: ethyl 4-[1-(4-chlorophenyl)-6-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C374-1609
ethyl 4-[1-(4-chlorophenyl)-6-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]benzoate

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

C374-1609

Molecular Formula

C21H17ClN4O3 (C21 H17 ClN4 O3)

Compound Name

ethyl 4-[1-(4-chlorophenyl)-6-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]benzoate

IUPAC name

ethyl 4-[1-(4-chlorophenyl)-6-methyl-4-oxo-1H4H5H-pyrazolo[34-d]pyrimidin-5-yl]benzoate

SMILES

CCOC(c(cc1)ccc1N(C(C)=Nc1c2cnn1-c(cc1)ccc1Cl)C2=O)=O

InChI

InChI=1S/C21H17ClN4O3/c1-3-29-21(28)14-4-8-16(9-5-14)25-13(2)24-19-18(20(25)27)12-23-26(19)17-10-6-15(22)7-11-17/h4-12H,3H2,1-2H3

InChI Key

RTNDKLOBRISSRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.361

Distribution Coefficient, logD

4.354

Water Solubility, LogSw

-4.51

Polar Surface Area

58.478

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C374-1609 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C374-1609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C374-1609?
Check Price and Availability of C374-1609, 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 C374-1609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C374-1609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C374-1609
  • 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 C374-1609 available by request