C338-0303 Screening compound: N-(2,3-dimethylphenyl)-2-[5-(4-fluorophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]acetamide

C338-0303 Screening compound: N-(2,3-dimethylphenyl)-2-[5-(4-fluorophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]acetamide
C338-0303 Screening compound: N-(2,3-dimethylphenyl)-2-[5-(4-fluorophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C338-0303
N-(2,3-dimethylphenyl)-2-[5-(4-fluorophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]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

C338-0303

Molecular Formula

C20H18FN5O3 (C20 H18 FN5 O3)

Compound Name

N-(2,3-dimethylphenyl)-2-[5-(4-fluorophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]acetamide

IUPAC name

N-(23-dimethylphenyl)-2-[5-(4-fluorophenyl)-46-dioxo-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazol-1-yl]acetamide

SMILES

Cc1cccc(NC(CN(C2C(N3c(cc4)ccc4F)=O)N=NC2C3=O)=O)c1C

InChI

InChI=1S/C20H18FN5O3/c1-11-4-3-5-15(12(11)2)22-16(27)10-25-18-17(23-24-25)19(28)26(20(18)29)14-8-6-13(21)7-9-14/h3-9,17-18H,10H2,1-2H3,(H,22,27)

InChI Key

IBLRJJSSVNEOTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.905

Distribution Coefficient, logD

1.905

Water Solubility, LogSw

-2.43

Polar Surface Area

79.824

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

C338-0303 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 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
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C338-0303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C338-0303?
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What is the minimum amount of C338-0303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C338-0303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C338-0303
  • 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 C338-0303 available by request