C200-4211 Screening compound: 5-(3-chloro-4-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

C200-4211 Screening compound: 5-(3-chloro-4-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
C200-4211 Screening compound: 5-(3-chloro-4-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-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 C200-4211
5-(3-chloro-4-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-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

C200-4211

Molecular Formula

C18H14Cl2N4O3 (C18 H14 Cl2 N4 O3)

Compound Name

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

IUPAC name

5-(3-chloro-4-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazole-46-dione

SMILES

COc(ccc(N(C(C1N(Cc(cc2)ccc2Cl)N=NC11)=O)C1=O)c1)c1Cl

InChI

InChI=1S/C18H14Cl2N4O3/c1-27-14-7-6-12(8-13(14)20)24-17(25)15-16(18(24)26)23(22-21-15)9-10-2-4-11(19)5-3-10/h2-8,15-16H,9H2,1H3

InChI Key

GXJBAEVXEWZFHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.24

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

2.628

Distribution Coefficient, logD

2.628

Water Solubility, LogSw

-3.27

Polar Surface Area

65.003

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

C200-4211 in Drug Discovery

Included in Screening Libraries

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:
  • 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 C200-4211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4211?
Check Price and Availability of C200-4211, 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 C200-4211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4211
  • 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 C200-4211 available by request