2279-4331 Screening compound: 2-[(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

2279-4331 Screening compound: 2-[(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
2279-4331 Screening compound: 2-[(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 2279-4331
2-[(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

2279-4331

Molecular Formula

C14H15N7O7 (C14 H15 N7 O7)

Compound Name

2-[(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

2-[(35-dioxo-2345-tetrahydro-124-triazin-6-yl)amino]-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]propanehydrazide

SMILES

CC(C(N/N=C/c(cc1OC)cc([N+]([O-])=O)c1O)=O)NC(C(N1)=O)=NNC1=O

InChI

InChI=1S/C14H15N7O7/c1-6(16-11-13(24)17-14(25)20-18-11)12(23)19-15-5-7-3-8(21(26)27)10(22)9(4-7)28-2/h3-6,22H,1-2H3,(H,16,18)(H,19,23)(H2,17,20,24,25)/t6-/m0/s1

InChI Key

DURRXOQQWZMTJC-LURJTMIESA-N

MDL Number (MFCD)

MFCD01847320

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

8.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

-0.186

Distribution Coefficient, logD

-1.345

Water Solubility, LogSw

-2.12

Polar Surface Area

163.653

Acid Dissociation Constant (pKa)

6.27

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

2279-4331 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 2279-4331 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2279-4331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2279-4331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2279-4331
  • 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 2279-4331 available by request