L688-0024 Screening compound: 2-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-(4-fluorobenzyl)-7-methyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5(7H)-dione

L688-0024 Screening compound: 2-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-(4-fluorobenzyl)-7-methyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5(7H)-dione
L688-0024 Screening compound: 2-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-(4-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 L688-0024
2-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-(4-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

L688-0024

Molecular Formula

C20H18FN7O3 (C20 H18 FN7 O3)

Compound Name

2-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-(4-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

11-[(35-dimethyl-12-oxazol-4-yl)methyl]-8-[(4-fluorophenyl)methyl]-4-methyl-14581011-hexaazatricyclo[7.3.0.0^{26}]dodeca-259-triene-712-dione

SMILES

Cc1noc(C)c1CN(C(N1c2cn(C)nc22)=O)N=C1N(Cc(cc1)ccc1F)C2=O

InChI

InChI=1S/C20H18FN7O3/c1-11-15(12(2)31-24-11)9-27-20(30)28-16-10-25(3)22-17(16)18(29)26(19(28)23-27)8-13-4-6-14(21)7-5-13/h4-7,10H,8-9H2,1-3H3

InChI Key

CVMIRBHUJHTAGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27469554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.538

Distribution Coefficient, logD

1.538

Water Solubility, LogSw

-1.82

Polar Surface Area

85.420

Acid Dissociation Constant (pKa)

19.36

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

L688-0024 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 L688-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L688-0024?
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What is the minimum amount of L688-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L688-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L688-0024
  • 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 L688-0024 available by request