0080-0043 Screening compound: ethyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

0080-0043 Screening compound: ethyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
0080-0043 Screening compound: ethyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0080-0043
ethyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

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

0080-0043

Molecular Formula

C11H15NO3 (C11 H15 NO3)

Compound Name

ethyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 5-acetyl-24-dimethyl-1H-pyrrole-3-carboxylate

SMILES

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

InChI

InChI=1S/C11H15NO3/c1-5-15-11(14)9-6(2)10(8(4)13)12-7(9)3/h12H,5H2,1-4H3

InChI Key

ZCNAULQFSXEJTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00227068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

209.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.675

Distribution Coefficient, logD

1.675

Water Solubility, LogSw

-1.43

Polar Surface Area

45.800

Acid Dissociation Constant (pKa)

15.01

Base Dissociation Constant (pKb)

-4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

0080-0043 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 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 0080-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0080-0043?
Check Price and Availability of 0080-0043, 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 0080-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0080-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0080-0043
  • 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 0080-0043 available by request