4491-0649 Screening compound: N'-[(E)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methylidene]-2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)acetohydrazide

4491-0649 Screening compound: N'-[(E)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methylidene]-2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)acetohydrazide
4491-0649 Screening compound: N'-[(E)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methylidene]-2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-0649
N'-[(E)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methylidene]-2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)acetohydrazide

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

4491-0649

Molecular Formula

C10H9N7O5 (C10 H9 N7 O5)

Compound Name

N'-[(E)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methylidene]-2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)acetohydrazide

IUPAC name

N'-[(E)-(26-dioxo-1236-tetrahydropyrimidin-4-yl)methylidene]-2-(35-dioxo-2345-tetrahydro-124-triazin-6-yl)acetohydrazide

SMILES

O=C(CC(C(N1)=O)=NNC1=O)N/N=C/C(NC(N1)=O)=CC1=O

InChI

InChI=1S/C10H9N7O5/c18-6-1-4(12-9(21)13-6)3-11-16-7(19)2-5-8(20)14-10(22)17-15-5/h1,3H,2H2,(H,16,19)(H2,12,13,18,21)(H2,14,17,20,22)

InChI Key

BQMCIRVGTJAVQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01531173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.23

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

-2.107

Distribution Coefficient, logD

-2.118

Water Solubility, LogSw

-1.48

Polar Surface Area

145.201

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

4491-0649 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4491-0649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-0649?
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What is the minimum amount of 4491-0649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-0649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-0649
  • 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 4491-0649 available by request