D264-0129 Screening compound: 1-[(4-fluorophenyl)methyl]-7-[(4-methoxyphenyl)sulfanyl]-4-methyl-1H-[1,2,3]triazolo[4,5-d]pyridazine

D264-0129 Screening compound: 1-[(4-fluorophenyl)methyl]-7-[(4-methoxyphenyl)sulfanyl]-4-methyl-1H-[1,2,3]triazolo[4,5-d]pyridazine
D264-0129 Screening compound: 1-[(4-fluorophenyl)methyl]-7-[(4-methoxyphenyl)sulfanyl]-4-methyl-1H-[1,2,3]triazolo[4,5-d]pyridazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D264-0129
1-[(4-fluorophenyl)methyl]-7-[(4-methoxyphenyl)sulfanyl]-4-methyl-1H-[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

D264-0129

Molecular Formula

C19H16FN5OS (C19 H16 FN5 OS)

Compound Name

1-[(4-fluorophenyl)methyl]-7-[(4-methoxyphenyl)sulfanyl]-4-methyl-1H-[1,2,3]triazolo[4,5-d]pyridazine

IUPAC name

1-[(4-fluorophenyl)methyl]-7-[(4-methoxyphenyl)sulfanyl]-4-methyl-1H-[123]triazolo[45-d]pyridazine

SMILES

Cc(c1c2n(Cc(cc3)ccc3F)nn1)nnc2Sc(cc1)ccc1OC

InChI

InChI=1S/C19H16FN5OS/c1-12-17-18(25(24-22-17)11-13-3-5-14(20)6-4-13)19(23-21-12)27-16-9-7-15(26-2)8-10-16/h3-10H,11H2,1-2H3

InChI Key

XVBNGMRHMICRDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14815751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.372

Distribution Coefficient, logD

3.372

Water Solubility, LogSw

-3.58

Polar Surface Area

55.934

Acid Dissociation Constant (pKa)

22.80

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

D264-0129 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D264-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D264-0129?
Check Price and Availability of D264-0129, 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 D264-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D264-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D264-0129
  • 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 D264-0129 available by request