E020-1582 Screening compound: 2-{1-OXO-1H,2H-PYRROLO[1,2-D][1,2,4]TRIAZIN-2-YL}-N-[2-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE

E020-1582 Screening compound: 2-{1-OXO-1H,2H-PYRROLO[1,2-D][1,2,4]TRIAZIN-2-YL}-N-[2-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
E020-1582 Screening compound: 2-{1-OXO-1H,2H-PYRROLO[1,2-D][1,2,4]TRIAZIN-2-YL}-N-[2-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound E020-1582
2-{1-OXO-1H,2H-PYRROLO[1,2-D][1,2,4]TRIAZIN-2-YL}-N-[2-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE

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

E020-1582

Molecular Formula

C16H13F3N4O2 (C16 H13 F3 N4 O2)

Compound Name

2-{1-OXO-1H,2H-PYRROLO[1,2-D][1,2,4]TRIAZIN-2-YL}-N-[2-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE

IUPAC name

2-{1-oxo-1H2H-pyrrolo[12-d][124]triazin-2-yl}-N-[2-(trifluoromethyl)phenyl]propanamide

SMILES

CC(C(Nc1c(C(F)(F)F)cccc1)=O)N(C1=O)N=Cn2c1ccc2

InChI

InChI=1S/C16H13F3N4O2/c1-10(23-15(25)13-7-4-8-22(13)9-20-23)14(24)21-12-6-3-2-5-11(12)16(17,18)19/h2-10H,1H3,(H,21,24)/t10-/m0/s1

InChI Key

FJZYVBASYORGFX-JTQLQIEISA-N

MDL Number (MFCD)

MFCD14840198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.525

Distribution Coefficient, logD

2.525

Water Solubility, LogSw

-3.03

Polar Surface Area

52.649

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

E020-1582 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E020-1582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E020-1582?
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What is the minimum amount of E020-1582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E020-1582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E020-1582
  • 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 E020-1582 available by request