5842-0941 Screening compound: 3-{2-[(hydroxyimino)methyl]-1H-pyrrol-1-yl}benzoic acid

5842-0941 Screening compound: 3-{2-[(hydroxyimino)methyl]-1H-pyrrol-1-yl}benzoic acid
5842-0941 Screening compound: 3-{2-[(hydroxyimino)methyl]-1H-pyrrol-1-yl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5842-0941
3-{2-[(hydroxyimino)methyl]-1H-pyrrol-1-yl}benzoic 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

5842-0941

Molecular Formula

C12H10N2O3 (C12 H10 N2 O3)

Compound Name

3-{2-[(hydroxyimino)methyl]-1H-pyrrol-1-yl}benzoic acid

IUPAC name

3-{2-[(hydroxyimino)methyl]-1H-pyrrol-1-yl}benzoic acid

SMILES

OC(c1cc(-n2c(C=NO)ccc2)ccc1)=O

InChI

InChI=1S/C12H10N2O3/c15-12(16)9-3-1-4-10(7-9)14-6-2-5-11(14)8-13-17/h1-8,17H,(H,15,16)

InChI Key

OFYDQOMTSGVDQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05625348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

230.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.715

Distribution Coefficient, logD

-1.917

Water Solubility, LogSw

-2.72

Polar Surface Area

60.191

Acid Dissociation Constant (pKa)

2.77

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5842-0941 in Drug Discovery

Included in Screening Libraries

Human Phosphatases Annotated Library (206 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 5842-0941 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5842-0941?
Check Price and Availability of 5842-0941, 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 5842-0941 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5842-0941
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5842-0941
  • 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 5842-0941 available by request