8009-6555 Screening compound: 4-chlorobenzyl {2-[4-(3,4-dichlorophenyl)-1,3-diphenyl-4,5-dihydro-1H-1,2,4-triazol-5-yl]phenyl} ether

8009-6555 Screening compound: 4-chlorobenzyl {2-[4-(3,4-dichlorophenyl)-1,3-diphenyl-4,5-dihydro-1H-1,2,4-triazol-5-yl]phenyl} ether
8009-6555 Screening compound: 4-chlorobenzyl {2-[4-(3,4-dichlorophenyl)-1,3-diphenyl-4,5-dihydro-1H-1,2,4-triazol-5-yl]phenyl} ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-6555
4-chlorobenzyl {2-[4-(3,4-dichlorophenyl)-1,3-diphenyl-4,5-dihydro-1H-1,2,4-triazol-5-yl]phenyl} ether

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

8009-6555

Molecular Formula

C33H24Cl3N3O (C33 H24 Cl3 N3 O)

Compound Name

4-chlorobenzyl {2-[4-(3,4-dichlorophenyl)-1,3-diphenyl-4,5-dihydro-1H-1,2,4-triazol-5-yl]phenyl} ether

IUPAC name

5-{2-[(4-chlorophenyl)methoxy]phenyl}-4-(34-dichlorophenyl)-13-diphenyl-45-dihydro-1H-124-triazole

SMILES

Clc1ccc(COc2c(C3N(c4ccccc4)N=C(c4ccccc4)N3c(cc3)cc(Cl)c3Cl)cccc2)cc1

InChI

InChI=1S/C33H24Cl3N3O/c34-25-17-15-23(16-18-25)22-40-31-14-8-7-13-28(31)33-38(27-19-20-29(35)30(36)21-27)32(24-9-3-1-4-10-24)37-39(33)26-11-5-2-6-12-26/h1-21,33H,22H2/t33-/m0/s1

InChI Key

QHVALWLWDOYNPA-XIFFEERXSA-N

MDL Number (MFCD)

MFCD01819515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.93

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

10.449

Distribution Coefficient, logD

10.449

Water Solubility, LogSw

-6.92

Polar Surface Area

23.899

Acid Dissociation Constant (pKa)

17.30

Base Dissociation Constant (pKb)

4.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.06

8009-6555 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8009-6555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-6555?
Check Price and Availability of 8009-6555, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8009-6555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-6555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-6555
  • 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 8009-6555 available by request