R052-2266 Screening compound: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid

R052-2266 Screening compound: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
R052-2266 Screening compound: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-2266
4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid

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

R052-2266

Molecular Formula

C9H11NO3 (C9 H11 NO3)

Compound Name

4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid

IUPAC name

4-acetyl-35-dimethyl-1H-pyrrole-2-carboxylic acid

SMILES

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

InChI

InChI=1S/C9H11NO3/c1-4-7(6(3)11)5(2)10-8(4)9(12)13/h10H,1-3H3,(H,12,13)

InChI Key

SQFWNYAZHOVSPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00022374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

181.19

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.684

Distribution Coefficient, logD

-2.028

Water Solubility, LogSw

-0.50

Polar Surface Area

53.455

Acid Dissociation Constant (pKa)

4.69

Base Dissociation Constant (pKb)

-4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

R052-2266 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Fragments
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with R052-2266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-2266?
Check Price and Availability of R052-2266, 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 R052-2266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-2266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-2266
  • 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 R052-2266 available by request