8009-6556 Screening compound: 5-{2-[(4-chlorophenyl)methoxy]phenyl}-1,3,4-triphenyl-4,5-dihydro-1H-1,2,4-triazole

8009-6556 Screening compound: 5-{2-[(4-chlorophenyl)methoxy]phenyl}-1,3,4-triphenyl-4,5-dihydro-1H-1,2,4-triazole
8009-6556 Screening compound: 5-{2-[(4-chlorophenyl)methoxy]phenyl}-1,3,4-triphenyl-4,5-dihydro-1H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-6556
5-{2-[(4-chlorophenyl)methoxy]phenyl}-1,3,4-triphenyl-4,5-dihydro-1H-1,2,4-triazole

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

8009-6556

Molecular Formula

C33H26ClN3O (C33 H26 ClN3 O)

Compound Name

5-{2-[(4-chlorophenyl)methoxy]phenyl}-1,3,4-triphenyl-4,5-dihydro-1H-1,2,4-triazole

IUPAC name

5-{2-[(4-chlorophenyl)methoxy]phenyl}-134-triphenyl-45-dihydro-1H-124-triazole

SMILES

Clc1ccc(COc2c(C3N(c4ccccc4)N=C(c4ccccc4)N3c3ccccc3)cccc2)cc1

InChI

InChI=1S/C33H26ClN3O/c34-27-22-20-25(21-23-27)24-38-31-19-11-10-18-30(31)33-36(28-14-6-2-7-15-28)32(26-12-4-1-5-13-26)35-37(33)29-16-8-3-9-17-29/h1-23,33H,24H2/t33-/m0/s1

InChI Key

LXWSFAYUOGIPBU-XIFFEERXSA-N

MDL Number (MFCD)

MFCD01819516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.04

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.974

Distribution Coefficient, logD

8.973

Water Solubility, LogSw

-6.96

Polar Surface Area

23.899

Acid Dissociation Constant (pKa)

17.92

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.10

8009-6556 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8009-6556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-6556?
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What is the minimum amount of 8009-6556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-6556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-6556
  • 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 8009-6556 available by request