8016-8208 Screening compound: 4-(aminomethyl)-5-propyl-2-furoic acid

8016-8208 Screening compound: 4-(aminomethyl)-5-propyl-2-furoic acid
8016-8208 Screening compound: 4-(aminomethyl)-5-propyl-2-furoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8208
4-(aminomethyl)-5-propyl-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

8016-8208

Molecular Formula

C9H13NO3 (C9 H13 NO3)

Compound Name

4-(aminomethyl)-5-propyl-2-furoic acid

IUPAC name

4-(aminomethyl)-5-propylfuran-2-carboxylic acid

SMILES

CCCc1c(CN)cc(C(O)=O)o1

InChI

InChI=1S/C9H13NO3/c1-2-3-7-6(5-10)4-8(13-7)9(11)12/h4H,2-3,5,10H2,1H3,(H,11,12)

InChI Key

RQZRPXLHCDGYIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05859467

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

183.21

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.511

Distribution Coefficient, logD

0.511

Water Solubility, LogSw

-0.77

Polar Surface Area

58.381

Acid Dissociation Constant (pKa)

4.02

Base Dissociation Constant (pKb)

10.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

8016-8208 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8016-8208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8208?
Check Price and Availability of 8016-8208, 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 8016-8208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8208
  • 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 8016-8208 available by request