8014-8774 Screening compound: 5-oxo-5-{[2-(4-pyridyl)ethyl]amino}pentanoic acid

8014-8774 Screening compound: 5-oxo-5-{[2-(4-pyridyl)ethyl]amino}pentanoic acid
8014-8774 Screening compound: 5-oxo-5-{[2-(4-pyridyl)ethyl]amino}pentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8774
5-oxo-5-{[2-(4-pyridyl)ethyl]amino}pentanoic 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

8014-8774

Molecular Formula

C12H16N2O3 (C12 H16 N2 O3)

Compound Name

5-oxo-5-{[2-(4-pyridyl)ethyl]amino}pentanoic acid

IUPAC name

4-{[2-(pyridin-4-yl)ethyl]carbamoyl}butanoic acid

SMILES

OC(CCCC(NCCc1ccncc1)=O)=O

InChI

InChI=1S/C12H16N2O3/c15-11(2-1-3-12(16)17)14-9-6-10-4-7-13-8-5-10/h4-5,7-8H,1-3,6,9H2,(H,14,15)(H,16,17)

InChI Key

BDKQLLUKXHCLAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03820599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

236.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-1.051

Distribution Coefficient, logD

-3.649

Water Solubility, LogSw

-0.90

Polar Surface Area

62.363

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

8014-8774 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8014-8774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8774?
Check Price and Availability of 8014-8774, 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 8014-8774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8774
  • 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 8014-8774 available by request