8010-9927 Screening compound: 3-[3-(benzylamino)-3-oxopropyl]-6-oxo-3-piperidinecarboxylic acid

8010-9927 Screening compound: 3-[3-(benzylamino)-3-oxopropyl]-6-oxo-3-piperidinecarboxylic acid
8010-9927 Screening compound: 3-[3-(benzylamino)-3-oxopropyl]-6-oxo-3-piperidinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-9927
3-[3-(benzylamino)-3-oxopropyl]-6-oxo-3-piperidinecarboxylic 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

8010-9927

Molecular Formula

C16H20N2O4 (C16 H20 N2 O4)

Compound Name

3-[3-(benzylamino)-3-oxopropyl]-6-oxo-3-piperidinecarboxylic acid

IUPAC name

3-[2-(benzylcarbamoyl)ethyl]-6-oxopiperidine-3-carboxylic acid

SMILES

OC(C(CCC(NCc1ccccc1)=O)(CC1)CNC1=O)=O

InChI

InChI=1S/C16H20N2O4/c19-13(17-10-12-4-2-1-3-5-12)6-8-16(15(21)22)9-7-14(20)18-11-16/h1-5H,6-11H2,(H,17,19)(H,18,20)(H,21,22)/t16-/m0/s1

InChI Key

KFUNZJUZXYJCRY-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02647545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.214

Distribution Coefficient, logD

-1.490

Water Solubility, LogSw

-1.46

Polar Surface Area

77.993

Acid Dissociation Constant (pKa)

5.70

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

8010-9927 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Arginase Targeted Library (2009 compounds)

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8010-9927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-9927?
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What is the minimum amount of 8010-9927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-9927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-9927
  • 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 8010-9927 available by request