E016-0117 Screening compound: N-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

E016-0117 Screening compound: N-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
E016-0117 Screening compound: N-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E016-0117
N-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-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

E016-0117

Molecular Formula

C21H18ClN5O3 (C21 H18 ClN5 O3)

Compound Name

N-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

IUPAC name

N-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxo-4H5H-pyrazolo[15-d][124]triazin-5-yl]acetamide

SMILES

Cc(c(NC(CN(C(c1c2)=O)N=Cn1nc2-c(cc1)ccc1OC)=O)ccc1)c1Cl

InChI

InChI=1S/C21H18ClN5O3/c1-13-16(22)4-3-5-17(13)24-20(28)11-26-21(29)19-10-18(25-27(19)12-23-26)14-6-8-15(30-2)9-7-14/h3-10,12H,11H2,1-2H3,(H,24,28)

InChI Key

XHUNXODSYMOERI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14838539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.302

Distribution Coefficient, logD

3.301

Water Solubility, LogSw

-3.65

Polar Surface Area

72.141

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

E016-0117 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E016-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E016-0117?
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What is the minimum amount of E016-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E016-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E016-0117
  • 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 E016-0117 available by request