3993-4148 Screening compound: 7-(4-ethylphenyl)-3-methyl-4H,6H-pyrrolo[3',4':4,5][1,3]thiazolo[2,3-c][1,2,4]triazine-4,6,8(7H)-trione

3993-4148 Screening compound: 7-(4-ethylphenyl)-3-methyl-4H,6H-pyrrolo[3',4':4,5][1,3]thiazolo[2,3-c][1,2,4]triazine-4,6,8(7H)-trione
3993-4148 Screening compound: 7-(4-ethylphenyl)-3-methyl-4H,6H-pyrrolo[3',4':4,5][1,3]thiazolo[2,3-c][1,2,4]triazine-4,6,8(7H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3993-4148
7-(4-ethylphenyl)-3-methyl-4H,6H-pyrrolo[3',4':4,5][1,3]thiazolo[2,3-c][1,2,4]triazine-4,6,8(7H)-trione

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

3993-4148

Molecular Formula

C16H12N4O3S (C16 H12 N4 O3 S)

Compound Name

7-(4-ethylphenyl)-3-methyl-4H,6H-pyrrolo[3',4':4,5][1,3]thiazolo[2,3-c][1,2,4]triazine-4,6,8(7H)-trione

IUPAC name

4-(4-ethylphenyl)-11-methyl-7-thia-14910-tetraazatricyclo[6.4.0.0^{26}]dodeca-2(6)810-triene-3512-trione

SMILES

CCc(cc1)ccc1N(C(C(N12)=C3SC2=NN=C(C)C1=O)=O)C3=O

InChI

InChI=1S/C16H12N4O3S/c1-3-9-4-6-10(7-5-9)19-14(22)11-12(15(19)23)24-16-18-17-8(2)13(21)20(11)16/h4-7H,3H2,1-2H3

InChI Key

QNFGFJQLGPBPJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02367192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.886

Distribution Coefficient, logD

1.886

Water Solubility, LogSw

-2.31

Polar Surface Area

63.918

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

3993-4148 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3993-4148 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3993-4148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3993-4148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3993-4148
  • 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 3993-4148 available by request