8019-5903 Screening compound: 9-benzyl-5-methyl-2-(4-pyridyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

8019-5903 Screening compound: 9-benzyl-5-methyl-2-(4-pyridyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
8019-5903 Screening compound: 9-benzyl-5-methyl-2-(4-pyridyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5903
9-benzyl-5-methyl-2-(4-pyridyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

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

8019-5903

Molecular Formula

C23H20N6S (C23 H20 N6 S)

Compound Name

9-benzyl-5-methyl-2-(4-pyridyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

13-benzyl-7-methyl-4-(pyridin-4-yl)-10-thia-356813-pentaazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)24711(16)-pentaene

SMILES

Cc1nc(sc2c3CCN(Cc4ccccc4)C2)c3c2nc(-c3ccncc3)nn12

InChI

InChI=1S/C23H20N6S/c1-15-25-23-20(22-26-21(27-29(15)22)17-7-10-24-11-8-17)18-9-12-28(14-19(18)30-23)13-16-5-3-2-4-6-16/h2-8,10-11H,9,12-14H2,1H3

InChI Key

FQQGCAUGZISELD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06783873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.759

Distribution Coefficient, logD

3.750

Water Solubility, LogSw

-4.10

Polar Surface Area

44.939

Acid Dissociation Constant (pKa)

20.69

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

8019-5903 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-5903 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5903?
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What is the minimum amount of 8019-5903 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5903
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5903
  • 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 8019-5903 available by request