5830-0043 Screening compound: 3-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]propanehydrazide

5830-0043 Screening compound: 3-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]propanehydrazide
5830-0043 Screening compound: 3-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]propanehydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5830-0043
3-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]propanehydrazide

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

5830-0043

Molecular Formula

C14H15N7O7 (C14 H15 N7 O7)

Compound Name

3-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]propanehydrazide

IUPAC name

3-[(35-dioxo-2345-tetrahydro-124-triazin-6-yl)amino]-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]propanehydrazide

SMILES

COc1cc(/C=N/NC(CCNC(C(N2)=O)=NNC2=O)=O)cc([N+]([O-])=O)c1O

InChI

InChI=1S/C14H15N7O7/c1-28-9-5-7(4-8(11(9)23)21(26)27)6-16-18-10(22)2-3-15-12-13(24)17-14(25)20-19-12/h4-6,23H,2-3H2,1H3,(H,15,19)(H,18,22)(H2,17,20,24,25)

InChI Key

FUAQKZKYZJAYNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02348695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.32

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

-0.759

Distribution Coefficient, logD

-2.422

Water Solubility, LogSw

-1.92

Polar Surface Area

164.118

Acid Dissociation Constant (pKa)

5.75

Base Dissociation Constant (pKb)

3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

5830-0043 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5830-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5830-0043?
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What is the minimum amount of 5830-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5830-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5830-0043
  • 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 5830-0043 available by request