1416-0552 Screening compound: N'-[(1E)-1-(6-methoxy-2-oxo-2H-chromen-3-yl)ethylidene]-4-nitrobenzohydrazide

1416-0552 Screening compound: N'-[(1E)-1-(6-methoxy-2-oxo-2H-chromen-3-yl)ethylidene]-4-nitrobenzohydrazide
1416-0552 Screening compound: N'-[(1E)-1-(6-methoxy-2-oxo-2H-chromen-3-yl)ethylidene]-4-nitrobenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1416-0552
N'-[(1E)-1-(6-methoxy-2-oxo-2H-chromen-3-yl)ethylidene]-4-nitrobenzohydrazide

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

1416-0552

Molecular Formula

C19H15N3O6 (C19 H15 N3 O6)

Compound Name

N'-[(1E)-1-(6-methoxy-2-oxo-2H-chromen-3-yl)ethylidene]-4-nitrobenzohydrazide

IUPAC name

N'-[(1E)-1-(6-methoxy-2-oxo-2H-chromen-3-yl)ethylidene]-4-nitrobenzohydrazide

SMILES

C/C(/C1=Cc(cc(cc2)OC)c2OC1=O)=N\NC(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C19H15N3O6/c1-11(20-21-18(23)12-3-5-14(6-4-12)22(25)26)16-10-13-9-15(27-2)7-8-17(13)28-19(16)24/h3-10H,1-2H3,(H,21,23)

InChI Key

LQGWENFBLYUUJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.34

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.897

Distribution Coefficient, logD

2.644

Water Solubility, LogSw

-3.60

Polar Surface Area

96.689

Acid Dissociation Constant (pKa)

7.50

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

1416-0552 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1416-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1416-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1416-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1416-0552
  • 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 1416-0552 available by request