8008-3608 Screening compound: 3-(4-ethylphenyl)-2-{[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-3,4-dihydroquinazolin-4-one

8008-3608 Screening compound: 3-(4-ethylphenyl)-2-{[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-3,4-dihydroquinazolin-4-one
8008-3608 Screening compound: 3-(4-ethylphenyl)-2-{[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-3608
3-(4-ethylphenyl)-2-{[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-3,4-dihydroquinazolin-4-one

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

8008-3608

Molecular Formula

C24H20N6OS (C24 H20 N6 OS)

Compound Name

3-(4-ethylphenyl)-2-{[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-3,4-dihydroquinazolin-4-one

IUPAC name

3-(4-ethylphenyl)-2-{[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]methyl}-34-dihydroquinazolin-4-one

SMILES

CCc(cc1)ccc1N(C(CSc1nnnn1-c1ccccc1)=Nc1c2cccc1)C2=O

InChI

InChI=1S/C24H20N6OS/c1-2-17-12-14-18(15-13-17)29-22(25-21-11-7-6-10-20(21)23(29)31)16-32-24-26-27-28-30(24)19-8-4-3-5-9-19/h3-15H,2,16H2,1H3

InChI Key

QCTYYZCCDFUOBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01209815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.082

Distribution Coefficient, logD

4.074

Water Solubility, LogSw

-4.20

Polar Surface Area

64.516

Acid Dissociation Constant (pKa)

16.13

Base Dissociation Constant (pKb)

5.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8008-3608 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8008-3608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-3608?
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What is the minimum amount of 8008-3608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-3608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-3608
  • 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 8008-3608 available by request