2895-0154 Screening compound: 5-(ethoxycarbonyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid

2895-0154 Screening compound: 5-(ethoxycarbonyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid
2895-0154 Screening compound: 5-(ethoxycarbonyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2895-0154
5-(ethoxycarbonyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-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

2895-0154

Molecular Formula

C13H17NO6 (C13 H17 NO6)

Compound Name

5-(ethoxycarbonyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid

IUPAC name

5-(ethoxycarbonyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid

SMILES

CCOC(c1c(C)c(CCC(OC)=O)c(C(O)=O)[nH]1)=O

InChI

InChI=1S/C13H17NO6/c1-4-20-13(18)10-7(2)8(5-6-9(15)19-3)11(14-10)12(16)17/h14H,4-6H2,1-3H3,(H,16,17)

InChI Key

JOYMAARHTVEQEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01820352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.28

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.215

Distribution Coefficient, logD

-1.484

Water Solubility, LogSw

-0.99

Polar Surface Area

81.154

Acid Dissociation Constant (pKa)

4.70

Base Dissociation Constant (pKb)

-4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

2895-0154 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

Soluble Diversity Library (15920 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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 2895-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2895-0154?
Check Price and Availability of 2895-0154, 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 2895-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2895-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2895-0154
  • 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 2895-0154 available by request