1161-0071 Screening compound: 2,4-diethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate

1161-0071 Screening compound: 2,4-diethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate
1161-0071 Screening compound: 2,4-diethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1161-0071
2,4-diethyl 5-formyl-3-methyl-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

1161-0071

Molecular Formula

C12H15NO5 (C12 H15 NO5)

Compound Name

2,4-diethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate

IUPAC name

24-diethyl 5-formyl-3-methyl-1H-pyrrole-24-dicarboxylate

SMILES

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

InChI

InChI=1S/C12H15NO5/c1-4-17-11(15)9-7(3)10(12(16)18-5-2)13-8(9)6-14/h6,13H,4-5H2,1-3H3

InChI Key

WPKKEQCPXUTCDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00030389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

253.25

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.544

Distribution Coefficient, logD

1.544

Water Solubility, LogSw

-1.46

Polar Surface Area

67.575

Acid Dissociation Constant (pKa)

8.31

Base Dissociation Constant (pKb)

-4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

1161-0071 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1161-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1161-0071?
Check Price and Availability of 1161-0071, 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 1161-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1161-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1161-0071
  • 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 1161-0071 available by request