C200-3703 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

C200-3703 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
C200-3703 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-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 C200-3703
1-[(2-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-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

C200-3703

Molecular Formula

C17H11Cl2FN4O2 (C17 H11 Cl2 FN4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1N(Cc(ccc(F)c2)c2Cl)N=NC1C1=O)N1c(cc1)ccc1Cl

InChI

InChI=1S/C17H11Cl2FN4O2/c18-10-2-5-12(6-3-10)24-16(25)14-15(17(24)26)23(22-21-14)8-9-1-4-11(20)7-13(9)19/h1-7,14-15H,8H2

InChI Key

DMAODUWHGHUAPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.2

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.116

Distribution Coefficient, logD

3.116

Water Solubility, LogSw

-3.34

Polar Surface Area

57.373

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.60

C200-3703 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 C200-3703 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3703?
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What is the minimum amount of C200-3703 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3703
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3703
  • 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 C200-3703 available by request