D084-0035 Screening compound: N-[3-(4-ethoxyanilino)-1,2,4-triazin-5-yl]-N-(4-ethoxyphenyl)amine

D084-0035 Screening compound: N-[3-(4-ethoxyanilino)-1,2,4-triazin-5-yl]-N-(4-ethoxyphenyl)amine
D084-0035 Screening compound: N-[3-(4-ethoxyanilino)-1,2,4-triazin-5-yl]-N-(4-ethoxyphenyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D084-0035
N-[3-(4-ethoxyanilino)-1,2,4-triazin-5-yl]-N-(4-ethoxyphenyl)amine

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

D084-0035

Molecular Formula

C19H21N5O2 (C19 H21 N5 O2)

Compound Name

N-[3-(4-ethoxyanilino)-1,2,4-triazin-5-yl]-N-(4-ethoxyphenyl)amine

IUPAC name

n/a

SMILES

CCOc(cc1)ccc1Nc1nc(Nc(cc2)ccc2OCC)nnc1

InChI

InChI=1S/C19H21N5O2/c1-3-25-16-9-5-14(6-10-16)21-18-13-20-24-19(23-18)22-15-7-11-17(12-8-15)26-4-2/h5-13H,3-4H2,1-2H3,(H2,21,22,23,24)

InChI Key

XSGUMQQIDJGCHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07801278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.370

Distribution Coefficient, logD

4.365

Water Solubility, LogSw

-4.07

Polar Surface Area

66.640

Acid Dissociation Constant (pKa)

18.53

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D084-0035 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D084-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D084-0035?
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What is the minimum amount of D084-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D084-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D084-0035
  • 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 D084-0035 available by request