P671-3199 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-[4-oxo-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamide

P671-3199 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-[4-oxo-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamide
P671-3199 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-[4-oxo-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P671-3199
N-(5-chloro-2-methoxyphenyl)-2-[4-oxo-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-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

P671-3199

Molecular Formula

C18H14ClN5O3S (C18 H14 ClN5 O3 S)

Compound Name

N-(5-chloro-2-methoxyphenyl)-2-[4-oxo-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamide

IUPAC name

N-(5-chloro-2-methoxyphenyl)-2-[4-oxo-2-(thiophen-2-yl)-4H5H-pyrazolo[15-d][124]triazin-7-yl]acetamide

SMILES

COc(ccc(Cl)c1)c1NC(CC(n(c1c2)nc2-c2cccs2)=NNC1=O)=O

InChI

InChI=1S/C18H14ClN5O3S/c1-27-14-5-4-10(19)7-11(14)20-17(25)9-16-21-22-18(26)13-8-12(23-24(13)16)15-3-2-6-28-15/h2-8H,9H2,1H3,(H,20,25)(H,22,26)

InChI Key

QNLJXNWWLLMHEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27610989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.668

Distribution Coefficient, logD

2.664

Water Solubility, LogSw

-3.55

Polar Surface Area

81.849

Acid Dissociation Constant (pKa)

9.45

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

P671-3199 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P671-3199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P671-3199?
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What is the minimum amount of P671-3199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P671-3199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P671-3199
  • 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 P671-3199 available by request