L688-0028 Screening compound: 4-(4-fluorobenzyl)-7-methyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-2,4-dihydro-1H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5(7H)-dione

L688-0028 Screening compound: 4-(4-fluorobenzyl)-7-methyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-2,4-dihydro-1H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5(7H)-dione
L688-0028 Screening compound: 4-(4-fluorobenzyl)-7-methyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)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 L688-0028
4-(4-fluorobenzyl)-7-methyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)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

L688-0028

Molecular Formula

C25H20FN7O3 (C25 H20 FN7 O3)

Compound Name

4-(4-fluorobenzyl)-7-methyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)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-fluorophenyl)methyl]-4-methyl-11-[(5-methyl-2-phenyl-13-oxazol-4-yl)methyl]-14581011-hexaazatricyclo[7.3.0.0^{26}]dodeca-259-triene-712-dione

SMILES

Cc1c(CN(C(N2c3cn(C)nc33)=O)N=C2N(Cc(cc2)ccc2F)C3=O)nc(-c2ccccc2)o1

InChI

InChI=1S/C25H20FN7O3/c1-15-19(27-22(36-15)17-6-4-3-5-7-17)13-32-25(35)33-20-14-30(2)28-21(20)23(34)31(24(33)29-32)12-16-8-10-18(26)11-9-16/h3-11,14H,12-13H2,1-2H3

InChI Key

RKNZUCQGGOMJRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27469555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.869

Distribution Coefficient, logD

2.869

Water Solubility, LogSw

-3.03

Polar Surface Area

81.504

Acid Dissociation Constant (pKa)

26.34

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

L688-0028 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 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

References: we are preparing a list of scientific research reports with L688-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L688-0028?
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What is the minimum amount of L688-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L688-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L688-0028
  • 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 L688-0028 available by request