D727-0645 Screening compound: 5-oxo-1-(2-piperidinoethyl)-3-pyrrolidinecarboxylic acid

D727-0645 Screening compound: 5-oxo-1-(2-piperidinoethyl)-3-pyrrolidinecarboxylic acid
D727-0645 Screening compound: 5-oxo-1-(2-piperidinoethyl)-3-pyrrolidinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D727-0645
5-oxo-1-(2-piperidinoethyl)-3-pyrrolidinecarboxylic 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

D727-0645

Molecular Formula

C12H20N2O3 (C12 H20 N2 O3)

Compound Name

5-oxo-1-(2-piperidinoethyl)-3-pyrrolidinecarboxylic acid

IUPAC name

5-oxo-1-[2-(piperidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid

SMILES

OC(C(C1)CN(CCN2CCCCC2)C1=O)=O

InChI

InChI=1S/C12H20N2O3/c15-11-8-10(12(16)17)9-14(11)7-6-13-4-2-1-3-5-13/h10H,1-9H2,(H,16,17)/t10-/m1/s1

InChI Key

LAMLBQYCCDJPAV-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD12209128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

240.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.641

Distribution Coefficient, logD

-0.641

Water Solubility, LogSw

-0.19

Polar Surface Area

49.803

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

83.33

D727-0645 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 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 D727-0645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D727-0645?
Check Price and Availability of D727-0645, 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 D727-0645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D727-0645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D727-0645
  • 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 D727-0645 available by request