C301-8725 Screening compound: 1-(3,4-dimethoxyphenyl)-3-(2-{[1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl}phenyl)urea

C301-8725 Screening compound: 1-(3,4-dimethoxyphenyl)-3-(2-{[1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl}phenyl)urea
C301-8725 Screening compound: 1-(3,4-dimethoxyphenyl)-3-(2-{[1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl}phenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8725
1-(3,4-dimethoxyphenyl)-3-(2-{[1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl}phenyl)urea

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

C301-8725

Molecular Formula

C20H18N6O3S (C20 H18 N6 O3 S)

Compound Name

1-(3,4-dimethoxyphenyl)-3-(2-{[1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl}phenyl)urea

IUPAC name

1-(34-dimethoxyphenyl)-3-(2-{[124]triazolo[43-b]pyridazin-6-ylsulfanyl}phenyl)urea

SMILES

COc(ccc(NC(Nc(cccc1)c1Sc(cc1)nn2c1nnc2)=O)c1)c1OC

InChI

InChI=1S/C20H18N6O3S/c1-28-15-8-7-13(11-16(15)29-2)22-20(27)23-14-5-3-4-6-17(14)30-19-10-9-18-24-21-12-26(18)25-19/h3-12H,1-2H3,(H2,22,23,27)

InChI Key

FZHITGIRGXSSKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.894

Distribution Coefficient, logD

2.894

Water Solubility, LogSw

-3.48

Polar Surface Area

79.275

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C301-8725 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C301-8725 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8725?
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What is the minimum amount of C301-8725 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8725
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8725
  • 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 C301-8725 available by request