T473-0388 Screening compound: N-(3-chloro-4-methylphenyl)-4-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}piperazine-1-carboxamide

T473-0388 Screening compound: N-(3-chloro-4-methylphenyl)-4-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}piperazine-1-carboxamide
T473-0388 Screening compound: N-(3-chloro-4-methylphenyl)-4-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T473-0388
N-(3-chloro-4-methylphenyl)-4-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}piperazine-1-carboxamide

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

T473-0388

Molecular Formula

C18H20ClN7O (C18 H20 ClN7 O)

Compound Name

N-(3-chloro-4-methylphenyl)-4-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}piperazine-1-carboxamide

IUPAC name

N-(3-chloro-4-methylphenyl)-4-{3-methyl-[124]triazolo[43-b]pyridazin-7-yl}piperazine-1-carboxamide

SMILES

Cc1nnc2n1ncc(N(CC1)CCN1C(Nc1cc(Cl)c(C)cc1)=O)c2

InChI

InChI=1S/C18H20ClN7O/c1-12-3-4-14(9-16(12)19)21-18(27)25-7-5-24(6-8-25)15-10-17-23-22-13(2)26(17)20-11-15/h3-4,9-11H,5-8H2,1-2H3,(H,21,27)

InChI Key

OGTIHCODFBPQFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29024741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.330

Distribution Coefficient, logD

2.330

Water Solubility, LogSw

-3.28

Polar Surface Area

62.399

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

T473-0388 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T473-0388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T473-0388?
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What is the minimum amount of T473-0388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T473-0388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T473-0388
  • 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 T473-0388 available by request