6414-0397 Screening compound: 4-methyl-3-(1H-pyrrol-1-yl)benzoic acid

6414-0397 Screening compound: 4-methyl-3-(1H-pyrrol-1-yl)benzoic acid
6414-0397 Screening compound: 4-methyl-3-(1H-pyrrol-1-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6414-0397
4-methyl-3-(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

6414-0397

Molecular Formula

C12H11NO2 (C12 H11 NO2)

Compound Name

4-methyl-3-(1H-pyrrol-1-yl)benzoic acid

IUPAC name

4-methyl-3-(1H-pyrrol-1-yl)benzoic acid

SMILES

Cc(ccc(C(O)=O)c1)c1-n1cccc1

InChI

InChI=1S/C12H11NO2/c1-9-4-5-10(12(14)15)8-11(9)13-6-2-3-7-13/h2-8H,1H3,(H,14,15)

InChI Key

OFNPBYYSTKWMRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03923237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

201.22

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

3.274

Distribution Coefficient, logD

-0.939

Water Solubility, LogSw

-3.17

Polar Surface Area

32.331

Acid Dissociation Constant (pKa)

3.19

Base Dissociation Constant (pKb)

-4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

6414-0397 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 6414-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6414-0397?
Check Price and Availability of 6414-0397, 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 6414-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6414-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6414-0397
  • 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 6414-0397 available by request