P671-1658 Screening compound: methyl 2-(2-{4-oxo-2-phenyl-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl}acetamido)benzoate

P671-1658 Screening compound: methyl 2-(2-{4-oxo-2-phenyl-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl}acetamido)benzoate
P671-1658 Screening compound: methyl 2-(2-{4-oxo-2-phenyl-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound P671-1658
methyl 2-(2-{4-oxo-2-phenyl-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

P671-1658

Molecular Formula

C21H17N5O4 (C21 H17 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

COC(c(cccc1)c1NC(CC(n(c1c2)nc2-c2ccccc2)=NNC1=O)=O)=O

InChI

InChI=1S/C21H17N5O4/c1-30-21(29)14-9-5-6-10-15(14)22-19(27)12-18-23-24-20(28)17-11-16(25-26(17)18)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,22,27)(H,24,28)

InChI Key

JFAOGLGMYOMHAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27610807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.4

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

2.371

Distribution Coefficient, logD

2.365

Water Solubility, LogSw

-3.31

Polar Surface Area

94.374

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with P671-1658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P671-1658?
Check Price and Availability of P671-1658, 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 P671-1658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P671-1658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P671-1658
  • 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 P671-1658 available by request