C338-0667 Screening compound: ethyl 4-{2-[5-(3,4-dimethoxyphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]acetamido}benzoate

C338-0667 Screening compound: ethyl 4-{2-[5-(3,4-dimethoxyphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]acetamido}benzoate
C338-0667 Screening compound: ethyl 4-{2-[5-(3,4-dimethoxyphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C338-0667
ethyl 4-{2-[5-(3,4-dimethoxyphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]acetamido}benzoate

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

C338-0667

Molecular Formula

C23H23N5O7 (C23 H23 N5 O7)

Compound Name

ethyl 4-{2-[5-(3,4-dimethoxyphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[5-(34-dimethoxyphenyl)-46-dioxo-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazol-1-yl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CN(C1C(N2c(cc3)cc(OC)c3OC)=O)N=NC1C2=O)=O)=O

InChI

InChI=1S/C23H23N5O7/c1-4-35-23(32)13-5-7-14(8-6-13)24-18(29)12-27-20-19(25-26-27)21(30)28(22(20)31)15-9-10-16(33-2)17(11-15)34-3/h5-11,19-20H,4,12H2,1-3H3,(H,24,29)

InChI Key

FWNIKQHGBXDTAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.47

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.505

Distribution Coefficient, logD

1.505

Water Solubility, LogSw

-2.41

Polar Surface Area

116.536

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.40

C338-0667 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Antibacterial Compounds Library (13827 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
  • Infections
  • Immune system
  • animal
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C338-0667 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C338-0667?
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What is the minimum amount of C338-0667 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C338-0667
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C338-0667
  • 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 C338-0667 available by request