C338-0245 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-(4-phenoxyphenyl)acetamide

C338-0245 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-(4-phenoxyphenyl)acetamide
C338-0245 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-(4-phenoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C338-0245
2-[5-(4-bromophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-(4-phenoxyphenyl)acetamide

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

C338-0245

Molecular Formula

C24H18BrN5O4 (C24 H18 BrN5 O4)

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-(4-phenoxyphenyl)acetamide

IUPAC name

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

SMILES

O=C(CN(C1C(N2c(cc3)ccc3Br)=O)N=NC1C2=O)Nc(cc1)ccc1Oc1ccccc1

InChI

InChI=1S/C24H18BrN5O4/c25-15-6-10-17(11-7-15)30-23(32)21-22(24(30)33)29(28-27-21)14-20(31)26-16-8-12-19(13-9-16)34-18-4-2-1-3-5-18/h1-13,21-22H,14H2,(H,26,31)

InChI Key

YXPKDVQEEJLDFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08568823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.770

Distribution Coefficient, logD

3.770

Water Solubility, LogSw

-4.19

Polar Surface Area

87.270

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

12.50

C338-0245 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C338-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C338-0245?
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What is the minimum amount of C338-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C338-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C338-0245
  • 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 C338-0245 available by request