E020-0549 Screening compound: N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-{4-methyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-2-yl}acetamide

E020-0549 Screening compound: N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-{4-methyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-2-yl}acetamide
E020-0549 Screening compound: N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-{4-methyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E020-0549
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-{4-methyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-2-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

E020-0549

Molecular Formula

C19H29N5O2 (C19 H29 N5 O2)

Compound Name

N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-{4-methyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-2-yl}acetamide

IUPAC name

N-[3-(26-dimethylpiperidin-1-yl)propyl]-2-{4-methyl-1-oxo-1H2H-pyrrolo[12-d][124]triazin-2-yl}acetamide

SMILES

CC1N(CCCNC(CN(C2=O)N=C(C)n3c2ccc3)=O)C(C)CCC1

InChI

InChI=1S/C19H29N5O2/c1-14-7-4-8-15(2)22(14)12-6-10-20-18(25)13-24-19(26)17-9-5-11-23(17)16(3)21-24/h5,9,11,14-15H,4,6-8,10,12-13H2,1-3H3,(H,20,25)

InChI Key

WSVNVBYVGIHSQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14840149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.461

Distribution Coefficient, logD

-1.697

Water Solubility, LogSw

-2.15

Polar Surface Area

57.149

Acid Dissociation Constant (pKa)

16.02

Base Dissociation Constant (pKb)

10.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.20

E020-0549 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E020-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E020-0549?
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What is the minimum amount of E020-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E020-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E020-0549
  • 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 E020-0549 available by request