L109-0451 Screening compound: 5-(3-chlorophenyl)-1-phenyl-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

L109-0451 Screening compound: 5-(3-chlorophenyl)-1-phenyl-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
L109-0451 Screening compound: 5-(3-chlorophenyl)-1-phenyl-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L109-0451
5-(3-chlorophenyl)-1-phenyl-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-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

L109-0451

Molecular Formula

C16H11ClN4O2 (C16 H11 ClN4 O2)

Compound Name

5-(3-chlorophenyl)-1-phenyl-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

IUPAC name

5-(3-chlorophenyl)-1-phenyl-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazole-46-dione

SMILES

O=C(C1N(c2ccccc2)N=NC1C1=O)N1c1cccc(Cl)c1

InChI

InChI=1S/C16H11ClN4O2/c17-10-5-4-8-12(9-10)20-15(22)13-14(16(20)23)21(19-18-13)11-6-2-1-3-7-11/h1-9,13-14H

InChI Key

HWVJBVZORFGBDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06420443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.74

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.489

Distribution Coefficient, logD

2.488

Water Solubility, LogSw

-2.98

Polar Surface Area

55.953

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

12.50

L109-0451 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L109-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L109-0451?
Check Price and Availability of L109-0451, 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 L109-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L109-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L109-0451
  • 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 L109-0451 available by request