2817-4329 Screening compound: 2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic acid

2817-4329 Screening compound: 2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic acid
2817-4329 Screening compound: 2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2817-4329
2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic 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

2817-4329

Molecular Formula

C13H13NO3 (C13 H13 NO3)

Compound Name

2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic acid

IUPAC name

2-(25-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic acid

SMILES

Cc1ccc(C)n1-c(ccc(O)c1)c1C(O)=O

InChI

InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)12-6-5-10(15)7-11(12)13(16)17/h3-7,15H,1-2H3,(H,16,17)

InChI Key

BTNJQFIFTBDRAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02108880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

231.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.144

Distribution Coefficient, logD

-0.716

Water Solubility, LogSw

-2.40

Polar Surface Area

48.852

Acid Dissociation Constant (pKa)

4.54

Base Dissociation Constant (pKb)

-5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

2817-4329 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Human Phosphatases Annotated Library (206 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

Structure:
  • Fragments
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 2817-4329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2817-4329?
Check Price and Availability of 2817-4329, 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 2817-4329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2817-4329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2817-4329
  • 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 2817-4329 available by request