P573-6744 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-{7-[(4-fluorophenyl)amino]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl}acetamide

P573-6744 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-{7-[(4-fluorophenyl)amino]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl}acetamide
P573-6744 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-{7-[(4-fluorophenyl)amino]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P573-6744
N-(3-chloro-4-methoxyphenyl)-2-{7-[(4-fluorophenyl)amino]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl}acetamide

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

P573-6744

Molecular Formula

C20H16ClFN6O3 (C20 H16 ClFN6 O3)

Compound Name

N-(3-chloro-4-methoxyphenyl)-2-{7-[(4-fluorophenyl)amino]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl}acetamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-2-{7-[(4-fluorophenyl)amino]-3-oxo-2H3H-[124]triazolo[43-a]pyrimidin-2-yl}acetamide

SMILES

COc(ccc(NC(CN(C(N1C=C2)=O)N=C1N=C2Nc(cc1)ccc1F)=O)c1)c1Cl

InChI

InChI=1S/C20H16ClFN6O3/c1-31-16-7-6-14(10-15(16)21)24-18(29)11-28-20(30)27-9-8-17(25-19(27)26-28)23-13-4-2-12(22)3-5-13/h2-10H,11H2,1H3,(H,24,29)(H,23,25,26)

InChI Key

JBELSJPMIYLQNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22596580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.336

Distribution Coefficient, logD

3.333

Water Solubility, LogSw

-3.62

Polar Surface Area

82.625

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

P573-6744 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with P573-6744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P573-6744?
Check Price and Availability of P573-6744, 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 P573-6744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P573-6744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P573-6744
  • 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 P573-6744 available by request