5491-0286 Screening compound: 3-{[(2-hydroxyphenyl)formohydrazido]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

5491-0286 Screening compound: 3-{[(2-hydroxyphenyl)formohydrazido]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
5491-0286 Screening compound: 3-{[(2-hydroxyphenyl)formohydrazido]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5491-0286
3-{[(2-hydroxyphenyl)formohydrazido]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

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

5491-0286

Molecular Formula

C16H16N2O5 (C16 H16 N2 O5)

Compound Name

3-{[(2-hydroxyphenyl)formohydrazido]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

IUPAC name

3-{[(2-hydroxyphenyl)formohydrazido]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

SMILES

OC(C(C1C=CC2C1)C2C(NNC(c(cccc1)c1O)=O)=O)=O

InChI

InChI=1S/C16H16N2O5/c19-11-4-2-1-3-10(11)14(20)17-18-15(21)12-8-5-6-9(7-8)13(12)16(22)23/h1-6,8-9,12-13,19H,7H2,(H,17,20)(H,18,21)(H,22,23)

InChI Key

JEZDCPHWGIMNMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00395935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.582

Distribution Coefficient, logD

-0.743

Water Solubility, LogSw

-2.21

Polar Surface Area

97.236

Acid Dissociation Constant (pKa)

5.08

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

31.30

5491-0286 in Drug Discovery

Included in Screening Libraries

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 5491-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5491-0286?
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What is the minimum amount of 5491-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5491-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5491-0286
  • 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 5491-0286 available by request