C338-0265 Screening compound: 2-[5-(4-bromophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-methyl-N-phenylacetamide

C338-0265 Screening compound: 2-[5-(4-bromophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-methyl-N-phenylacetamide
C338-0265 Screening compound: 2-[5-(4-bromophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-methyl-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C338-0265
2-[5-(4-bromophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-methyl-N-phenylacetamide

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

C338-0265

Molecular Formula

C19H16BrN5O3 (C19 H16 BrN5 O3)

Compound Name

2-[5-(4-bromophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-methyl-N-phenylacetamide

IUPAC name

2-[5-(4-bromophenyl)-46-dioxo-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazol-1-yl]-N-methyl-N-phenylacetamide

SMILES

CN(C(CN(C1C(N2c(cc3)ccc3Br)=O)N=NC1C2=O)=O)c1ccccc1

InChI

InChI=1S/C19H16BrN5O3/c1-23(13-5-3-2-4-6-13)15(26)11-24-17-16(21-22-24)18(27)25(19(17)28)14-9-7-12(20)8-10-14/h2-10,16-17H,11H2,1H3

InChI Key

KIQVLOIJVLLGHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.276

Distribution Coefficient, logD

1.276

Water Solubility, LogSw

-1.89

Polar Surface Area

72.486

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.10

C338-0265 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Adenosine Receptors Targeted Library (19896 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 C338-0265 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C338-0265?
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What is the minimum amount of C338-0265 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C338-0265
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C338-0265
  • 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 C338-0265 available by request