2825-0087 Screening compound: 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid

2825-0087 Screening compound: 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
2825-0087 Screening compound: 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2825-0087
4-(2,5-dimethyl-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

2825-0087

Molecular Formula

C13H13NO2 (C13 H13 NO2)

Compound Name

4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid

IUPAC name

4-(25-dimethyl-1H-pyrrol-1-yl)benzoic acid

SMILES

Cc1ccc(C)n1-c(cc1)ccc1C(O)=O

InChI

InChI=1S/C13H13NO2/c1-9-3-4-10(2)14(9)12-7-5-11(6-8-12)13(15)16/h3-8H,1-2H3,(H,15,16)

InChI Key

WNZAIUIEXCYTCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00453921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

215.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.866

Distribution Coefficient, logD

-0.020

Water Solubility, LogSw

-2.99

Polar Surface Area

31.535

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

2825-0087 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 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 2825-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2825-0087?
Check Price and Availability of 2825-0087, 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 2825-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2825-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2825-0087
  • 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 2825-0087 available by request