D012-0014 Screening compound: 1-(pyrimidin-2-yl)piperidine-4-carboxylic acid

D012-0014 Screening compound: 1-(pyrimidin-2-yl)piperidine-4-carboxylic acid
D012-0014 Screening compound: 1-(pyrimidin-2-yl)piperidine-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D012-0014
1-(pyrimidin-2-yl)piperidine-4-carboxylic 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

D012-0014

Molecular Formula

C10H13N3O2 (C10 H13 N3 O2)

Compound Name

1-(pyrimidin-2-yl)piperidine-4-carboxylic acid

IUPAC name

1-(pyrimidin-2-yl)piperidine-4-carboxylic acid

SMILES

OC(C(CC1)CCN1c1ncccn1)=O

InChI

InChI=1S/C10H13N3O2/c14-9(15)8-2-6-13(7-3-8)10-11-4-1-5-12-10/h1,4-5,8H,2-3,6-7H2,(H,14,15)

InChI Key

DYVXURZASBPYFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00664474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

207.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.602

Distribution Coefficient, logD

-1.951

Water Solubility, LogSw

-0.74

Polar Surface Area

50.461

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

8.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D012-0014 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Fragments Library (11262 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

STING Agonist Library (5895 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D012-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D012-0014?
Check Price and Availability of D012-0014, 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 D012-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D012-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D012-0014
  • 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 D012-0014 available by request