C713-0236 Screening compound: N-(4-ethoxyphenyl)-4-{3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperazine-1-carbothioamide

C713-0236 Screening compound: N-(4-ethoxyphenyl)-4-{3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperazine-1-carbothioamide
C713-0236 Screening compound: N-(4-ethoxyphenyl)-4-{3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperazine-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C713-0236
N-(4-ethoxyphenyl)-4-{3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperazine-1-carbothioamide

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

C713-0236

Molecular Formula

C24H25N7OS (C24 H25 N7 OS)

Compound Name

N-(4-ethoxyphenyl)-4-{3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperazine-1-carbothioamide

IUPAC name

N-(4-ethoxyphenyl)-4-{3-phenyl-[124]triazolo[43-b]pyridazin-6-yl}piperazine-1-carbothioamide

SMILES

CCOc(cc1)ccc1NC(N(CC1)CCN1c1nn2c(-c3ccccc3)nnc2cc1)=S

InChI

InChI=1S/C24H25N7OS/c1-2-32-20-10-8-19(9-11-20)25-24(33)30-16-14-29(15-17-30)22-13-12-21-26-27-23(31(21)28-22)18-6-4-3-5-7-18/h3-13H,2,14-17H2,1H3,(H,25,33)

InChI Key

INWUKCBQOKWRFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.549

Distribution Coefficient, logD

4.549

Water Solubility, LogSw

-4.10

Polar Surface Area

53.143

Acid Dissociation Constant (pKa)

14.74

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C713-0236 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C713-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C713-0236?
Check Price and Availability of C713-0236, 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 C713-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C713-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C713-0236
  • 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 C713-0236 available by request