P572-5074 Screening compound: 5-[(4-fluorophenyl)amino]-7-methyl-2-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

Chemical Structure Depiction of ChemDiv screening compound P572-5074
5-[(4-fluorophenyl)amino]-7-methyl-2-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

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)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

P572-5074

Molecular Formula

C₂₃H₂₁FN₆O₂ (C23 H21 FN6 O2)

Compound Name

5-[(4-fluorophenyl)amino]-7-methyl-2-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

IUPAC name

5-[(4-fluorophenyl)amino]-7-methyl-2-[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]-2H3H-[124]triazolo[43-c]pyrimidin-3-one

SMILES

CC(N=C(Nc(cc1)ccc1F)N12)=CC2=NN(CC(N(CCC2)c3c2cccc3)=O)C1=O

InChI

InChI=1S/C23H21FN6O2/c1-15-13-20-27-29(14-21(31)28-12-4-6-16-5-2-3-7-19(16)28)23(32)30(20)22(25-15)26-18-10-8-17(24)9-11-18/h2-3,5,7-11,13H,4,6,12,14H2,1H3,(H,25,26)

InChI Key

OWLXPSHHGQPVKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22596520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

3.221

Distribution Coefficient, logD

3.214

Water Solubility, LogSw

-3.48

Polar Surface Area

65.702

Acid Dissociation Constant (pK_a)

9.20

Base Dissociation Constant (pK_b)

2.80

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

21.70

P572-5074 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

C-Met Library (15277 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Antiviral
Infections
Immune system
Cancer
Digestive system
Respiratory tract
Otorhinolaryngologic
Endocrine
Infections
Cancer
Musculoskeletal
Digestive system
Respiratory tract
Male
Female
Cardiovascular
Skin
Metabolic
Immune system
Cancer
Digestive system
Respiratory tract
Nervous system
Eye
Cardiovascular
Cancer
Digestive system
Female
Hemic and lymphatic
Metabolic
Immune system

Targets:

Kinases
Proteases
GPCR
Others

Mechanism of action:

Receptor's ligands
Receptor's ligands

References: we are preparing a list of scientific research reports with P572-5074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P572-5074?
Check Price and Availability of P572-5074, 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 P572-5074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for P572-5074
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for P572-5074

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 P572-5074 available by request