0173-0060 Screening compound: 1-{[(2-carboxyphenyl)carbamoyl]methyl}-3-[(E)-(hydroxyimino)methyl]pyridin-1-ium

0173-0060 Screening compound: 1-{[(2-carboxyphenyl)carbamoyl]methyl}-3-[(E)-(hydroxyimino)methyl]pyridin-1-ium
0173-0060 Screening compound: 1-{[(2-carboxyphenyl)carbamoyl]methyl}-3-[(E)-(hydroxyimino)methyl]pyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0173-0060
1-{[(2-carboxyphenyl)carbamoyl]methyl}-3-[(E)-(hydroxyimino)methyl]pyridin-1-ium

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

0173-0060

Molecular Formula

C15H14N3O4 (C15 H14 N3 O4)

Compound Name

1-{[(2-carboxyphenyl)carbamoyl]methyl}-3-[(E)-(hydroxyimino)methyl]pyridin-1-ium

IUPAC name

1-{[(2-carboxyphenyl)carbamoyl]methyl}-3-[(E)-(hydroxyimino)methyl]pyridin-1-ium

SMILES

OC(c(cccc1)c1NC(C[n+]1cc(/C=N/O)ccc1)=O)=O

InChI

InChI=1S/C15H13N3O4/c19-14(10-18-7-3-4-11(9-18)8-16-22)17-13-6-2-1-5-12(13)15(20)21/h1-9H,10H2,(H2-,17,19,20,21,22)/p+1

InChI Key

BEXNRVDDJGADNC-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD00601634

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

300.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.218

Distribution Coefficient, logD

-2.195

Water Solubility, LogSw

-2.85

Polar Surface Area

82.799

Acid Dissociation Constant (pKa)

2.99

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with 0173-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0173-0060?
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What is the minimum amount of 0173-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0173-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0173-0060
  • 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 0173-0060 available by request