C301-8726 Screening compound: 1-(3,5-dimethylphenyl)-3-(2-{[1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl}phenyl)urea

C301-8726 Screening compound: 1-(3,5-dimethylphenyl)-3-(2-{[1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl}phenyl)urea
C301-8726 Screening compound: 1-(3,5-dimethylphenyl)-3-(2-{[1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl}phenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8726
1-(3,5-dimethylphenyl)-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

C301-8726

Molecular Formula

C20H18N6OS (C20 H18 N6 OS)

Compound Name

1-(3,5-dimethylphenyl)-3-(2-{[1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl}phenyl)urea

IUPAC name

1-(35-dimethylphenyl)-3-(2-{[124]triazolo[43-b]pyridazin-6-ylsulfanyl}phenyl)urea

SMILES

Cc1cc(NC(Nc(cccc2)c2Sc(cc2)nn3c2nnc3)=O)cc(C)c1

InChI

InChI=1S/C20H18N6OS/c1-13-9-14(2)11-15(10-13)22-20(27)23-16-5-3-4-6-17(16)28-19-8-7-18-24-21-12-26(18)25-19/h3-12H,1-2H3,(H2,22,23,27)

InChI Key

QIHLUDNUJPVSQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.052

Distribution Coefficient, logD

4.052

Water Solubility, LogSw

-4.03

Polar Surface Area

64.014

Acid Dissociation Constant (pKa)

13.95

Base Dissociation Constant (pKb)

-6.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C301-8726 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C301-8726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8726?
Check Price and Availability of C301-8726, 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 C301-8726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8726
  • 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 C301-8726 available by request