L688-0221 Screening compound: 2-[(3,5-dimethyl-4-isoxazolyl)methyl]-7-methyl-4-(4-methylbenzyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5(7H)-dione

L688-0221 Screening compound: 2-[(3,5-dimethyl-4-isoxazolyl)methyl]-7-methyl-4-(4-methylbenzyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5(7H)-dione
L688-0221 Screening compound: 2-[(3,5-dimethyl-4-isoxazolyl)methyl]-7-methyl-4-(4-methylbenzyl)-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 L688-0221
2-[(3,5-dimethyl-4-isoxazolyl)methyl]-7-methyl-4-(4-methylbenzyl)-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

L688-0221

Molecular Formula

C21H21N7O3 (C21 H21 N7 O3)

Compound Name

2-[(3,5-dimethyl-4-isoxazolyl)methyl]-7-methyl-4-(4-methylbenzyl)-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]-4-methyl-8-[(4-methylphenyl)methyl]-14581011-hexaazatricyclo[7.3.0.0^{26}]dodeca-259-triene-712-dione

SMILES

Cc1noc(C)c1CN(C(N1c2cn(C)nc22)=O)N=C1N(Cc1ccc(C)cc1)C2=O

InChI

InChI=1S/C21H21N7O3/c1-12-5-7-15(8-6-12)9-26-19(29)18-17(11-25(4)22-18)28-20(26)23-27(21(28)30)10-16-13(2)24-31-14(16)3/h5-8,11H,9-10H2,1-4H3

InChI Key

LBLZTQKHIVPKQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27469581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.44

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

1.933

Distribution Coefficient, logD

1.933

Water Solubility, LogSw

-2.20

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

28.60

L688-0221 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 L688-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L688-0221?
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What is the minimum amount of L688-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L688-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L688-0221
  • 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 L688-0221 available by request