R052-2678 Screening compound: 2-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]acetic acid

R052-2678 Screening compound: 2-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]acetic acid
R052-2678 Screening compound: 2-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-2678
2-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]acetic 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

R052-2678

Molecular Formula

C16H17NO4 (C16 H17 NO4)

Compound Name

2-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]acetic acid

IUPAC name

2-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]acetic acid

SMILES

CCOC(c1c(C)n(CC(O)=O)c(-c2ccccc2)c1)=O

InChI

InChI=1S/C16H17NO4/c1-3-21-16(20)13-9-14(12-7-5-4-6-8-12)17(11(13)2)10-15(18)19/h4-9H,3,10H2,1-2H3,(H,18,19)

InChI Key

BNYIGLLVRXMHSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03834500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.271

Distribution Coefficient, logD

-2.132

Water Solubility, LogSw

-2.90

Polar Surface Area

50.327

Acid Dissociation Constant (pKa)

3.00

Base Dissociation Constant (pKb)

-3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

R052-2678 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 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 R052-2678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-2678?
Check Price and Availability of R052-2678, 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 R052-2678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-2678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-2678
  • 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 R052-2678 available by request