P671-2747 Screening compound: methyl 4-{2-[2-(4-fluorophenyl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamido}benzoate

P671-2747 Screening compound: methyl 4-{2-[2-(4-fluorophenyl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamido}benzoate
P671-2747 Screening compound: methyl 4-{2-[2-(4-fluorophenyl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound P671-2747
methyl 4-{2-[2-(4-fluorophenyl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamido}benzoate

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

P671-2747

Molecular Formula

C21H16FN5O4 (C21 H16 FN5 O4)

Compound Name

methyl 4-{2-[2-(4-fluorophenyl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamido}benzoate

IUPAC name

methyl 4-{2-[2-(4-fluorophenyl)-4-oxo-4H5H-pyrazolo[15-d][124]triazin-7-yl]acetamido}benzoate

SMILES

COC(c(cc1)ccc1NC(CC(n(c1c2)nc2-c(cc2)ccc2F)=NNC1=O)=O)=O

InChI

InChI=1S/C21H16FN5O4/c1-31-21(30)13-4-8-15(9-5-13)23-19(28)11-18-24-25-20(29)17-10-16(26-27(17)18)12-2-6-14(22)7-3-12/h2-10H,11H2,1H3,(H,23,28)(H,25,29)

InChI Key

VDRMWZNYEGLVJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27610883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.871

Distribution Coefficient, logD

2.870

Water Solubility, LogSw

-3.56

Polar Surface Area

95.072

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

P671-2747 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with P671-2747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P671-2747?
Check Price and Availability of P671-2747, 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 P671-2747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P671-2747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P671-2747
  • 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 P671-2747 available by request