C713-0031 Screening compound: 2-methyl-1-(3-methylphenyl)-4-{3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperazine

C713-0031 Screening compound: 2-methyl-1-(3-methylphenyl)-4-{3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperazine
C713-0031 Screening compound: 2-methyl-1-(3-methylphenyl)-4-{3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C713-0031
2-methyl-1-(3-methylphenyl)-4-{3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperazine

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

C713-0031

Molecular Formula

C23H24N6 (C23 H24 N6)

Compound Name

2-methyl-1-(3-methylphenyl)-4-{3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperazine

IUPAC name

2-methyl-1-(3-methylphenyl)-4-{3-phenyl-[124]triazolo[43-b]pyridazin-6-yl}piperazine

SMILES

CC(CN(CC1)c2nn3c(-c4ccccc4)nnc3cc2)N1c1cc(C)ccc1

InChI

InChI=1S/C23H24N6/c1-17-7-6-10-20(15-17)28-14-13-27(16-18(28)2)22-12-11-21-24-25-23(29(21)26-22)19-8-4-3-5-9-19/h3-12,15,18H,13-14,16H2,1-2H3/t18-/m0/s1

InChI Key

YAWPSESUTGTIJL-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14787394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.568

Distribution Coefficient, logD

4.567

Water Solubility, LogSw

-4.40

Polar Surface Area

37.792

Acid Dissociation Constant (pKa)

23.53

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

C713-0031 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C713-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C713-0031?
Check Price and Availability of C713-0031, 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 C713-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C713-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C713-0031
  • 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 C713-0031 available by request