8016-5756 Screening compound: 5-ethyl-4-(1-pyrrolidinylmethyl)-2-furoic acid

8016-5756 Screening compound: 5-ethyl-4-(1-pyrrolidinylmethyl)-2-furoic acid
8016-5756 Screening compound: 5-ethyl-4-(1-pyrrolidinylmethyl)-2-furoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5756
5-ethyl-4-(1-pyrrolidinylmethyl)-2-furoic 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

8016-5756

Molecular Formula

C12H17NO3 (C12 H17 NO3)

Compound Name

5-ethyl-4-(1-pyrrolidinylmethyl)-2-furoic acid

IUPAC name

5-ethyl-4-[(pyrrolidin-1-yl)methyl]furan-2-carboxylic acid

SMILES

CCc1c(CN2CCCC2)cc(C(O)=O)o1

InChI

InChI=1S/C12H17NO3/c1-2-10-9(7-11(16-10)12(14)15)8-13-5-3-4-6-13/h7H,2-6,8H2,1H3,(H,14,15)

InChI Key

JFBZPQRDKOIVLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05238556

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

223.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.570

Distribution Coefficient, logD

1.570

Water Solubility, LogSw

-1.33

Polar Surface Area

40.819

Acid Dissociation Constant (pKa)

4.02

Base Dissociation Constant (pKb)

10.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.33

8016-5756 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8016-5756 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5756?
Check Price and Availability of 8016-5756, 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 8016-5756 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5756
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5756
  • 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 8016-5756 available by request