E016-0094 Screening compound: N~1~-[3-(diethylamino)propyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide

E016-0094 Screening compound: N~1~-[3-(diethylamino)propyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide
E016-0094 Screening compound: N~1~-[3-(diethylamino)propyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E016-0094
N~1~-[3-(diethylamino)propyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-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

E016-0094

Molecular Formula

C21H28N6O3 (C21 H28 N6 O3)

Compound Name

N~1~-[3-(diethylamino)propyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide

IUPAC name

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

SMILES

CCN(CC)CCCNC(CN(C(c1c2)=O)N=Cn1nc2-c(cc1)ccc1OC)=O

InChI

InChI=1S/C21H28N6O3/c1-4-25(5-2)12-6-11-22-20(28)14-26-21(29)19-13-18(24-27(19)15-23-26)16-7-9-17(30-3)10-8-16/h7-10,13,15H,4-6,11-12,14H2,1-3H3,(H,22,28)

InChI Key

ZKRCZFPOKVYONG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14838531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.253

Distribution Coefficient, logD

-1.526

Water Solubility, LogSw

-2.34

Polar Surface Area

77.685

Acid Dissociation Constant (pKa)

16.02

Base Dissociation Constant (pKb)

10.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

References: we are preparing a list of scientific research reports with E016-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E016-0094?
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What is the minimum amount of E016-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E016-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E016-0094
  • 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 E016-0094 available by request