0325-0370 Screening compound: 2,4-diethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

0325-0370 Screening compound: 2,4-diethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
0325-0370 Screening compound: 2,4-diethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0325-0370
2,4-diethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

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

0325-0370

Molecular Formula

C12H17NO4 (C12 H17 NO4)

Compound Name

2,4-diethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

IUPAC name

24-diethyl 35-dimethyl-1H-pyrrole-24-dicarboxylate

SMILES

CCOC(c1c(C)[nH]c(C(OCC)=O)c1C)=O

InChI

InChI=1S/C12H17NO4/c1-5-16-11(14)9-7(3)10(13-8(9)4)12(15)17-6-2/h13H,5-6H2,1-4H3

InChI Key

XSBSXJAYEPDGSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00005218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

239.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.213

Distribution Coefficient, logD

2.213

Water Solubility, LogSw

-2.02

Polar Surface Area

52.727

Acid Dissociation Constant (pKa)

6.77

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

0325-0370 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0325-0370 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0325-0370?
Check Price and Availability of 0325-0370, 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 0325-0370 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0325-0370
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0325-0370
  • 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 0325-0370 available by request