S065-0335 Screening compound: 1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]piperidin-3-amine

S065-0335 Screening compound: 1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]piperidin-3-amine
S065-0335 Screening compound: 1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]piperidin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S065-0335
1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]piperidin-3-amine

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

S065-0335

Molecular Formula

C13H21N5 (C13 H21 N5)

Compound Name

1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]piperidin-3-amine

IUPAC name

1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]piperidin-3-amine

SMILES

NC(CCC1)CN1c1ncnc(N2CCCC2)c1

InChI

InChI=1S/C13H21N5/c14-11-4-3-7-18(9-11)13-8-12(15-10-16-13)17-5-1-2-6-17/h8,10-11H,1-7,9,14H2/t11-/m0/s1

InChI Key

NDUQATOERCLXSQ-NSHDSACASA-N

MDL Number (MFCD)

MFCD27617523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.699

Distribution Coefficient, logD

-0.288

Water Solubility, LogSw

-1.73

Polar Surface Area

45.954

Acid Dissociation Constant (pKa)

21.94

Base Dissociation Constant (pKb)

9.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

69.20

S065-0335 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S065-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S065-0335?
Check Price and Availability of S065-0335, 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 S065-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S065-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S065-0335
  • 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 S065-0335 available by request