K089-0113 Screening compound: N'-[(E)-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene]-3-hydroxybenzohydrazide

K089-0113 Screening compound: N'-[(E)-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene]-3-hydroxybenzohydrazide
K089-0113 Screening compound: N'-[(E)-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene]-3-hydroxybenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K089-0113
N'-[(E)-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene]-3-hydroxybenzohydrazide

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

K089-0113

Molecular Formula

C21H21N5O5 (C21 H21 N5 O5)

Compound Name

N'-[(E)-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene]-3-hydroxybenzohydrazide

IUPAC name

N'-[(E)-{3-[(35-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene]-3-hydroxybenzohydrazide

SMILES

Cc(n(Cc(cc(/C=N/NC(c1cc(O)ccc1)=O)cc1)c1OC)nc1C)c1[N+]([O-])=O

InChI

InChI=1S/C21H21N5O5/c1-13-20(26(29)30)14(2)25(24-13)12-17-9-15(7-8-19(17)31-3)11-22-23-21(28)16-5-4-6-18(27)10-16/h4-11,27H,12H2,1-3H3,(H,23,28)

InChI Key

MQELTYGQOILZIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.734

Distribution Coefficient, logD

2.725

Water Solubility, LogSw

-2.94

Polar Surface Area

107.863

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

K089-0113 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K089-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K089-0113?
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What is the minimum amount of K089-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K089-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K089-0113
  • 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 K089-0113 available by request