8012-9116 Screening compound: N'-[(1E)-1-(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethylidene]pyridine-4-carbohydrazide

8012-9116 Screening compound: N'-[(1E)-1-(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethylidene]pyridine-4-carbohydrazide
8012-9116 Screening compound: N'-[(1E)-1-(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethylidene]pyridine-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9116
N'-[(1E)-1-(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethylidene]pyridine-4-carbohydrazide

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

8012-9116

Molecular Formula

C12H11N5O4 (C12 H11 N5 O4)

Compound Name

N'-[(1E)-1-(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethylidene]pyridine-4-carbohydrazide

IUPAC name

N'-[(1E)-1-(6-hydroxy-24-dioxo-1234-tetrahydropyrimidin-5-yl)ethylidene]pyridine-4-carbohydrazide

SMILES

C/C(/C(C(NC(N1)=O)=O)=C1O)=N\NC(c1ccncc1)=O

InChI

InChI=1S/C12H11N5O4/c1-6(8-10(19)14-12(21)15-11(8)20)16-17-9(18)7-2-4-13-5-3-7/h2-5H,1H3,(H,17,18)(H3,14,15,19,20,21)

InChI Key

IKPBHYUQVLJQEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02986849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.25

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-1.110

Distribution Coefficient, logD

-6.156

Water Solubility, LogSw

-1.01

Polar Surface Area

109.324

Acid Dissociation Constant (pKa)

2.35

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

8012-9116 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with 8012-9116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9116?
Check Price and Availability of 8012-9116, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8012-9116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9116
  • 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 8012-9116 available by request