L688-0133 Screening compound: 4-(4-chlorobenzyl)-2-(2,5-dimethylbenzyl)-7-methyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5(7H)-dione

L688-0133 Screening compound: 4-(4-chlorobenzyl)-2-(2,5-dimethylbenzyl)-7-methyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5(7H)-dione
L688-0133 Screening compound: 4-(4-chlorobenzyl)-2-(2,5-dimethylbenzyl)-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 L688-0133
4-(4-chlorobenzyl)-2-(2,5-dimethylbenzyl)-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

L688-0133

Molecular Formula

C23H21ClN6O2 (C23 H21 ClN6 O2)

Compound Name

4-(4-chlorobenzyl)-2-(2,5-dimethylbenzyl)-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-[(25-dimethylphenyl)methyl]-4-methyl-14581011-hexaazatricyclo[7.3.0.0^{26}]dodeca-259-triene-712-dione

SMILES

Cc1cc(CN(C(N2c3cn(C)nc33)=O)N=C2N(Cc(cc2)ccc2Cl)C3=O)c(C)cc1

InChI

InChI=1S/C23H21ClN6O2/c1-14-4-5-15(2)17(10-14)12-29-23(32)30-19-13-27(3)25-20(19)21(31)28(22(30)26-29)11-16-6-8-18(24)9-7-16/h4-10,13H,11-12H2,1-3H3

InChI Key

OUJVYVVXAHLXQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27469560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.91

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

4.179

Distribution Coefficient, logD

4.179

Water Solubility, LogSw

-4.39

Polar Surface Area

63.382

Acid Dissociation Constant (pKa)

23.03

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

L688-0133 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L688-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L688-0133?
Check Price and Availability of L688-0133, 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 L688-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L688-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L688-0133
  • 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 L688-0133 available by request