0833-0576 Screening compound: N'-[(1E)-1-(7-hydroxy-2-oxo-2H-chromen-3-yl)ethylidene]-4-nitrobenzohydrazide

0833-0576 Screening compound: N'-[(1E)-1-(7-hydroxy-2-oxo-2H-chromen-3-yl)ethylidene]-4-nitrobenzohydrazide
0833-0576 Screening compound: N'-[(1E)-1-(7-hydroxy-2-oxo-2H-chromen-3-yl)ethylidene]-4-nitrobenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0833-0576
N'-[(1E)-1-(7-hydroxy-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

0833-0576

Molecular Formula

C18H13N3O6 (C18 H13 N3 O6)

Compound Name

N'-[(1E)-1-(7-hydroxy-2-oxo-2H-chromen-3-yl)ethylidene]-4-nitrobenzohydrazide

IUPAC name

N'-[(1E)-1-(7-hydroxy-2-oxo-2H-chromen-3-yl)ethylidene]-4-nitrobenzohydrazide

SMILES

C/C(/C1=Cc(ccc(O)c2)c2OC1=O)=N\NC(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C18H13N3O6/c1-10(15-8-12-4-7-14(22)9-16(12)27-18(15)24)19-20-17(23)11-2-5-13(6-3-11)21(25)26/h2-9,22H,1H3,(H,20,23)

InChI Key

FOBDRWDOZBDPFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00360743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.32

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.461

Distribution Coefficient, logD

2.208

Water Solubility, LogSw

-2.93

Polar Surface Area

106.762

Acid Dissociation Constant (pKa)

7.50

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

0833-0576 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 0833-0576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0833-0576?
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What is the minimum amount of 0833-0576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0833-0576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0833-0576
  • 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 0833-0576 available by request