E020-0646 Screening compound: N-butyl-2-[4-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl]-N-methylacetamide

E020-0646 Screening compound: N-butyl-2-[4-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl]-N-methylacetamide
E020-0646 Screening compound: N-butyl-2-[4-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl]-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E020-0646
N-butyl-2-[4-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl]-N-methylacetamide

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

E020-0646

Molecular Formula

C15H22N4O2 (C15 H22 N4 O2)

Compound Name

N-butyl-2-[4-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl]-N-methylacetamide

IUPAC name

N-butyl-2-{4-ethyl-1-oxo-1H2H-pyrrolo[12-d][124]triazin-2-yl}-N-methylacetamide

SMILES

CCCCN(C)C(CN(C1=O)N=C(CC)n2c1ccc2)=O

InChI

InChI=1S/C15H22N4O2/c1-4-6-9-17(3)14(20)11-19-15(21)12-8-7-10-18(12)13(5-2)16-19/h7-8,10H,4-6,9,11H2,1-3H3

InChI Key

XIFFYYMYLWSBSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14840179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.627

Distribution Coefficient, logD

1.627

Water Solubility, LogSw

-1.90

Polar Surface Area

47.535

Acid Dissociation Constant (pKa)

18.55

Base Dissociation Constant (pKb)

5.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.33

E020-0646 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E020-0646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E020-0646?
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What is the minimum amount of E020-0646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E020-0646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E020-0646
  • 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 E020-0646 available by request