R052-2799 Screening compound: 2,5-dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde

R052-2799 Screening compound: 2,5-dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde
R052-2799 Screening compound: 2,5-dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-2799
2,5-dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde

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

R052-2799

Molecular Formula

C13H13NO (C13 H13 NO)

Compound Name

2,5-dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde

IUPAC name

25-dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde

SMILES

Cc1cc(C=O)c(C)n1-c1ccccc1

InChI

InChI=1S/C13H13NO/c1-10-8-12(9-15)11(2)14(10)13-6-4-3-5-7-13/h3-9H,1-2H3

InChI Key

LNROIXNEIZSESG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00051494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

199.25

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.423

Distribution Coefficient, logD

2.423

Water Solubility, LogSw

-2.45

Polar Surface Area

17.062

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

-3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

R052-2799 in Drug Discovery

Included in Screening Libraries

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:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with R052-2799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-2799?
Check Price and Availability of R052-2799, 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 R052-2799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-2799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-2799
  • 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 R052-2799 available by request