R010-0017 Screening compound: 5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

R010-0017 Screening compound: 5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
R010-0017 Screening compound: 5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R010-0017
5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic 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

R010-0017

Molecular Formula

C10H13NO4 (C10 H13 NO4)

Compound Name

5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

IUPAC name

5-(ethoxycarbonyl)-24-dimethyl-1H-pyrrole-3-carboxylic acid

SMILES

CCOC(c1c(C)c(C(O)=O)c(C)[nH]1)=O

InChI

InChI=1S/C10H13NO4/c1-4-15-10(14)8-5(2)7(9(12)13)6(3)11-8/h11H,4H2,1-3H3,(H,12,13)

InChI Key

VZZQCXPDRSMKPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00097477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

211.22

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.519

Distribution Coefficient, logD

-1.351

Water Solubility, LogSw

-1.25

Polar Surface Area

60.382

Acid Dissociation Constant (pKa)

4.53

Base Dissociation Constant (pKb)

-4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

R010-0017 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with R010-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R010-0017?
Check Price and Availability of R010-0017, 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 R010-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R010-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R010-0017
  • 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 R010-0017 available by request