3931-0594 Screening compound: 7-(4-methylphenyl)-3-phenyl-4H,6H-pyrrolo[3',4':4,5][1,3]thiazolo[2,3-c][1,2,4]triazine-4,6,8(7H)-trione

3931-0594 Screening compound: 7-(4-methylphenyl)-3-phenyl-4H,6H-pyrrolo[3',4':4,5][1,3]thiazolo[2,3-c][1,2,4]triazine-4,6,8(7H)-trione
3931-0594 Screening compound: 7-(4-methylphenyl)-3-phenyl-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 3931-0594
7-(4-methylphenyl)-3-phenyl-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

3931-0594

Molecular Formula

C20H12N4O3S (C20 H12 N4 O3 S)

Compound Name

7-(4-methylphenyl)-3-phenyl-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-methylphenyl)-11-phenyl-7-thia-14910-tetraazatricyclo[6.4.0.0^{26}]dodeca-2(6)810-triene-3512-trione

SMILES

Cc(cc1)ccc1N(C(C(N12)=C3SC2=NN=C(c2ccccc2)C1=O)=O)C3=O

InChI

InChI=1S/C20H12N4O3S/c1-11-7-9-13(10-8-11)23-18(26)15-16(19(23)27)28-20-22-21-14(17(25)24(15)20)12-5-3-2-4-6-12/h2-10H,1H3

InChI Key

FFHMVVOMZJOOFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02357433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.41

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

2.700

Distribution Coefficient, logD

2.700

Water Solubility, LogSw

-2.95

Polar Surface Area

64.474

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with 3931-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3931-0594?
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What is the minimum amount of 3931-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3931-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3931-0594
  • 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 3931-0594 available by request