8006-9865 Screening compound: (5E)-5-[(4-chlorophenyl)methylidene]-1,3-diphenyl-1,4,5,6-tetrahydro-1,2,4-triazin-6-one

8006-9865 Screening compound: (5E)-5-[(4-chlorophenyl)methylidene]-1,3-diphenyl-1,4,5,6-tetrahydro-1,2,4-triazin-6-one
8006-9865 Screening compound: (5E)-5-[(4-chlorophenyl)methylidene]-1,3-diphenyl-1,4,5,6-tetrahydro-1,2,4-triazin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9865
(5E)-5-[(4-chlorophenyl)methylidene]-1,3-diphenyl-1,4,5,6-tetrahydro-1,2,4-triazin-6-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

8006-9865

Molecular Formula

C22H16ClN3O (C22 H16 ClN3 O)

Compound Name

(5E)-5-[(4-chlorophenyl)methylidene]-1,3-diphenyl-1,4,5,6-tetrahydro-1,2,4-triazin-6-one

IUPAC name

(5E)-5-[(4-chlorophenyl)methylidene]-13-diphenyl-1456-tetrahydro-124-triazin-6-one

SMILES

O=C1N(c2ccccc2)N=C(c2ccccc2)N/C1=C/c(cc1)ccc1Cl

InChI

InChI=1S/C22H16ClN3O/c23-18-13-11-16(12-14-18)15-20-22(27)26(19-9-5-2-6-10-19)25-21(24-20)17-7-3-1-4-8-17/h1-15H,(H,24,25)

InChI Key

RBZFAEQOAZYDGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00763844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.84

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.091

Distribution Coefficient, logD

4.407

Water Solubility, LogSw

-5.79

Polar Surface Area

38.973

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8006-9865 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8006-9865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9865?
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What is the minimum amount of 8006-9865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9865
  • 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 8006-9865 available by request