L096-0837 Screening compound: ethyl 1-(2-{5-methyl-4,6-dioxo-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidin-7-yl}acetyl)piperidine-4-carboxylate

L096-0837 Screening compound: ethyl 1-(2-{5-methyl-4,6-dioxo-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidin-7-yl}acetyl)piperidine-4-carboxylate
L096-0837 Screening compound: ethyl 1-(2-{5-methyl-4,6-dioxo-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidin-7-yl}acetyl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L096-0837
ethyl 1-(2-{5-methyl-4,6-dioxo-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidin-7-yl}acetyl)piperidine-4-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

L096-0837

Molecular Formula

C22H25N5O5 (C22 H25 N5 O5)

Compound Name

ethyl 1-(2-{5-methyl-4,6-dioxo-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidin-7-yl}acetyl)piperidine-4-carboxylate

IUPAC name

ethyl 1-(2-{5-methyl-46-dioxo-1-phenyl-1H4H5H6H7H-pyrazolo[34-d]pyrimidin-7-yl}acetyl)piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(CN(c(n(-c1ccccc1)nc1)c1C(N1C)=O)C1=O)=O)=O

InChI

InChI=1S/C22H25N5O5/c1-3-32-21(30)15-9-11-25(12-10-15)18(28)14-26-19-17(20(29)24(2)22(26)31)13-23-27(19)16-7-5-4-6-8-16/h4-8,13,15H,3,9-12,14H2,1-2H3

InChI Key

QYGPOCUMBDCLBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.895

Distribution Coefficient, logD

1.895

Water Solubility, LogSw

-2.62

Polar Surface Area

82.522

Acid Dissociation Constant (pKa)

22.39

Base Dissociation Constant (pKb)

7.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

L096-0837 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L096-0837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L096-0837?
Check Price and Availability of L096-0837, 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 L096-0837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L096-0837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L096-0837
  • 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 L096-0837 available by request