L688-0129 Screening compound: 4-(4-chlorobenzyl)-2-(2-fluorobenzyl)-7-methyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5(7H)-dione

L688-0129 Screening compound: 4-(4-chlorobenzyl)-2-(2-fluorobenzyl)-7-methyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5(7H)-dione
L688-0129 Screening compound: 4-(4-chlorobenzyl)-2-(2-fluorobenzyl)-7-methyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5(7H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L688-0129
4-(4-chlorobenzyl)-2-(2-fluorobenzyl)-7-methyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5(7H)-dione

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

L688-0129

Molecular Formula

C21H16ClFN6O2 (C21 H16 ClFN6 O2)

Compound Name

4-(4-chlorobenzyl)-2-(2-fluorobenzyl)-7-methyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5(7H)-dione

IUPAC name

8-[(4-chlorophenyl)methyl]-11-[(2-fluorophenyl)methyl]-4-methyl-14581011-hexaazatricyclo[7.3.0.0^{26}]dodeca-259-triene-712-dione

SMILES

Cn(cc1N2C(N3Cc(cc4)ccc4Cl)=NN(Cc(cccc4)c4F)C2=O)nc1C3=O

InChI

InChI=1S/C21H16ClFN6O2/c1-26-12-17-18(24-26)19(30)27(10-13-6-8-15(22)9-7-13)20-25-28(21(31)29(17)20)11-14-4-2-3-5-16(14)23/h2-9,12H,10-11H2,1H3

InChI Key

CWBGBMAWEGRSAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27469557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.274

Distribution Coefficient, logD

3.274

Water Solubility, LogSw

-3.65

Polar Surface Area

63.382

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

L688-0129 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with L688-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L688-0129?
Check Price and Availability of L688-0129, 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 L688-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L688-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L688-0129
  • 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 L688-0129 available by request