2095-0020 Screening compound: N'-[(1E)-2,3,4,5-tetrahydroxyhexylidene]benzohydrazide

2095-0020 Screening compound: N'-[(1E)-2,3,4,5-tetrahydroxyhexylidene]benzohydrazide
2095-0020 Screening compound: N'-[(1E)-2,3,4,5-tetrahydroxyhexylidene]benzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2095-0020
N'-[(1E)-2,3,4,5-tetrahydroxyhexylidene]benzohydrazide

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

2095-0020

Molecular Formula

C13H18N2O5 (C13 H18 N2 O5)

Compound Name

N'-[(1E)-2,3,4,5-tetrahydroxyhexylidene]benzohydrazide

IUPAC name

n/a

SMILES

CC(C(C(C(/C=N/NC(c1ccccc1)=O)O)O)O)O

InChI

InChI=1S/C13H18N2O5/c1-8(16)11(18)12(19)10(17)7-14-15-13(20)9-5-3-2-4-6-9/h2-8,10-12,16-19H,1H3,(H,15,20)

InChI Key

MZVJRHTWHFSWNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.934

Distribution Coefficient, logD

-0.939

Water Solubility, LogSw

-1.61

Polar Surface Area

99.358

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

38.50

2095-0020 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 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 2095-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2095-0020?
Check Price and Availability of 2095-0020, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2095-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2095-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2095-0020
  • 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 2095-0020 available by request