C200-3704 Screening compound: 1-[(2-bromo-5-methoxyphenyl)methyl]-5-(4-fluorophenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

C200-3704 Screening compound: 1-[(2-bromo-5-methoxyphenyl)methyl]-5-(4-fluorophenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
C200-3704 Screening compound: 1-[(2-bromo-5-methoxyphenyl)methyl]-5-(4-fluorophenyl)-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 C200-3704
1-[(2-bromo-5-methoxyphenyl)methyl]-5-(4-fluorophenyl)-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

C200-3704

Molecular Formula

C18H14BrFN4O3 (C18 H14 BrFN4 O3)

Compound Name

1-[(2-bromo-5-methoxyphenyl)methyl]-5-(4-fluorophenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

IUPAC name

1-[(2-bromo-5-methoxyphenyl)methyl]-5-(4-fluorophenyl)-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazole-46-dione

SMILES

COc(cc1)cc(CN(C2C(N3c(cc4)ccc4F)=O)N=NC2C3=O)c1Br

InChI

InChI=1S/C18H14BrFN4O3/c1-27-13-6-7-14(19)10(8-13)9-23-16-15(21-22-23)17(25)24(18(16)26)12-4-2-11(20)3-5-12/h2-8,15-16H,9H2,1H3

InChI Key

OJEFKMIQCKSIJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.24

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.549

Distribution Coefficient, logD

2.549

Water Solubility, LogSw

-2.81

Polar Surface Area

64.916

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

C200-3704 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C200-3704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3704?
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What is the minimum amount of C200-3704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3704
  • 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 C200-3704 available by request