4065-0316 Screening compound: 3-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazin-1-yl]-5H,6H,7H,8H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione

4065-0316 Screening compound: 3-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazin-1-yl]-5H,6H,7H,8H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione
4065-0316 Screening compound: 3-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazin-1-yl]-5H,6H,7H,8H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4065-0316
3-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazin-1-yl]-5H,6H,7H,8H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione

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

4065-0316

Molecular Formula

C12H9N7O3 (C12 H9 N7 O3)

Compound Name

3-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazin-1-yl]-5H,6H,7H,8H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione

IUPAC name

3-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazin-1-yl]-5H6H7H8H-pyrimido[45-e][124]triazine-68-dione

SMILES

Oc1ccc(/C=N\Nc2nc(NC(NC3=O)=O)c3nn2)cc1

InChI

InChI=1S/C12H9N7O3/c20-7-3-1-6(2-4-7)5-13-18-11-14-9-8(17-19-11)10(21)16-12(22)15-9/h1-5,20H,(H3,14,15,16,18,19,21,22)

InChI Key

IBKRVZMRMWVJKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02331137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.25

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.236

Distribution Coefficient, logD

-1.090

Water Solubility, LogSw

-1.82

Polar Surface Area

122.145

Acid Dissociation Constant (pKa)

6.09

Base Dissociation Constant (pKb)

2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4065-0316 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4065-0316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4065-0316?
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What is the minimum amount of 4065-0316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4065-0316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4065-0316
  • 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 4065-0316 available by request