D264-0089 Screening compound: 1-(2-chlorobenzyl)-7-(4-fluorophenyl)-1H-[1,2,4]triazolo[4,3-b][1,2,3]triazolo[4,5-d]pyridazine

D264-0089 Screening compound: 1-(2-chlorobenzyl)-7-(4-fluorophenyl)-1H-[1,2,4]triazolo[4,3-b][1,2,3]triazolo[4,5-d]pyridazine
D264-0089 Screening compound: 1-(2-chlorobenzyl)-7-(4-fluorophenyl)-1H-[1,2,4]triazolo[4,3-b][1,2,3]triazolo[4,5-d]pyridazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D264-0089
1-(2-chlorobenzyl)-7-(4-fluorophenyl)-1H-[1,2,4]triazolo[4,3-b][1,2,3]triazolo[4,5-d]pyridazine

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

D264-0089

Molecular Formula

C18H11ClFN7 (C18 H11 ClFN7)

Compound Name

1-(2-chlorobenzyl)-7-(4-fluorophenyl)-1H-[1,2,4]triazolo[4,3-b][1,2,3]triazolo[4,5-d]pyridazine

IUPAC name

3-[(2-chlorophenyl)methyl]-10-(4-fluorophenyl)-345891112-heptaazatricyclo[7.3.0.0^{26}]dodeca-1(12)2(6)4710-pentaene

SMILES

Fc(cc1)ccc1-c1nnc2n1ncc1c2n(Cc(cccc2)c2Cl)nn1

InChI

InChI=1S/C18H11ClFN7/c19-14-4-2-1-3-12(14)10-26-16-15(22-25-26)9-21-27-17(23-24-18(16)27)11-5-7-13(20)8-6-11/h1-9H,10H2

InChI Key

AIWHWJRWVBVCEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14815739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.78

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.948

Distribution Coefficient, logD

2.948

Water Solubility, LogSw

-3.57

Polar Surface Area

58.369

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

D264-0089 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 D264-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D264-0089?
Check Price and Availability of D264-0089, 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 D264-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D264-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D264-0089
  • 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 D264-0089 available by request