E016-0436 Screening compound: 2-[4-oxo-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

E016-0436 Screening compound: 2-[4-oxo-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
E016-0436 Screening compound: 2-[4-oxo-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E016-0436
2-[4-oxo-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-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

E016-0436

Molecular Formula

C21H19N5O2S (C21 H19 N5 O2 S)

Compound Name

2-[4-oxo-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

IUPAC name

2-[4-oxo-2-(thiophen-2-yl)-4H5H-pyrazolo[15-d][124]triazin-5-yl]-N-(1234-tetrahydronaphthalen-1-yl)acetamide

SMILES

O=C(CN(C(c1c2)=O)N=Cn1nc2-c1cccs1)NC(CCC1)c2c1cccc2

InChI

InChI=1S/C21H19N5O2S/c27-20(23-16-8-3-6-14-5-1-2-7-15(14)16)12-25-21(28)18-11-17(19-9-4-10-29-19)24-26(18)13-22-25/h1-2,4-5,7,9-11,13,16H,3,6,8,12H2,(H,23,27)/t16-/m0/s1

InChI Key

PJKVSZUTJSPPEP-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14838641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.708

Distribution Coefficient, logD

2.708

Water Solubility, LogSw

-3.14

Polar Surface Area

67.479

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

E016-0436 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E016-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E016-0436?
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What is the minimum amount of E016-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E016-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E016-0436
  • 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 E016-0436 available by request