4310-2076 Screening compound: 3-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]propanoate

4310-2076 Screening compound: 3-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]propanoate
4310-2076 Screening compound: 3-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4310-2076
3-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]propanoate

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

4310-2076

Molecular Formula

C12H16NO4 (C12 H16 NO4)

Compound Name

3-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]propanoate

IUPAC name

3-[5-(ethoxycarbonyl)-24-dimethyl-1H-pyrrol-3-yl]propanoate

SMILES

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

InChI

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

InChI Key

CUMYMXCUGHBKLV-UHFFFAOYSA-M

MDL Number (MFCD)

MFCD01119104

Chemical and Physical Properties

Saltdata

Na+

Molecular Weight

238.26

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.735

Distribution Coefficient, logD

1.735

Water Solubility, LogSw

-1.31

Polar Surface Area

60.357

Acid Dissociation Constant (pKa)

15.37

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

4310-2076 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4310-2076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4310-2076?
Check Price and Availability of 4310-2076, 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 4310-2076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4310-2076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4310-2076
  • 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 4310-2076 available by request