2389-1172 Screening compound: N'-[(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene]-3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanehydrazide

2389-1172 Screening compound: N'-[(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene]-3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanehydrazide
2389-1172 Screening compound: N'-[(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene]-3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanehydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2389-1172
N'-[(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene]-3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)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

2389-1172

Molecular Formula

C21H21N5O5 (C21 H21 N5 O5)

Compound Name

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

IUPAC name

N'-[(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene]-3-(35-dioxo-2345-tetrahydro-124-triazin-6-yl)propanehydrazide

SMILES

COc(cc(/C=N/NC(CCC(C(N1)=O)=NNC1=O)=O)cc1)c1OCc1ccccc1

InChI

InChI=1S/C21H21N5O5/c1-30-18-11-15(7-9-17(18)31-13-14-5-3-2-4-6-14)12-22-25-19(27)10-8-16-20(28)23-21(29)26-24-16/h2-7,9,11-12H,8,10,13H2,1H3,(H,25,27)(H2,23,26,28,29)

InChI Key

IPSQVZARDAMBOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02348786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.513

Distribution Coefficient, logD

1.486

Water Solubility, LogSw

-2.19

Polar Surface Area

110.857

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

2389-1172 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 2389-1172 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2389-1172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2389-1172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2389-1172
  • 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 2389-1172 available by request