4153-0026 Screening compound: 1-({N'-[(E)-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methylidene]hydrazinecarbonyl}methyl)pyridin-1-ium

4153-0026 Screening compound: 1-({N'-[(E)-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methylidene]hydrazinecarbonyl}methyl)pyridin-1-ium
4153-0026 Screening compound: 1-({N'-[(E)-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methylidene]hydrazinecarbonyl}methyl)pyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 4153-0026
1-({N'-[(E)-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methylidene]hydrazinecarbonyl}methyl)pyridin-1-ium

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

4153-0026

Molecular Formula

C14H17N6O3 (C14 H17 N6 O3)

Compound Name

1-({N'-[(E)-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methylidene]hydrazinecarbonyl}methyl)pyridin-1-ium

IUPAC name

1-({N'-[(E)-(6-amino-13-dimethyl-24-dioxo-1234-tetrahydropyrimidin-5-yl)methylidene]hydrazinecarbonyl}methyl)pyridin-1-ium

SMILES

CN(C(C(/C=N/NC(C[n+]1ccccc1)=O)=C(N)N1C)=O)C1=O

InChI

InChI=1S/C14H16N6O3/c1-18-12(15)10(13(22)19(2)14(18)23)8-16-17-11(21)9-20-6-4-3-5-7-20/h3-8H,9H2,1-2H3,(H2-,15,16,17,21,22)/p+1

InChI Key

VMTVHKMHTMVUGW-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD02233976

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

317.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.613

Distribution Coefficient, logD

-0.614

Water Solubility, LogSw

-0.52

Polar Surface Area

90.576

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with 4153-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4153-0026?
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What is the minimum amount of 4153-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4153-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4153-0026
  • 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 4153-0026 available by request