S056-0710 Screening compound: 1-[(6-propoxy-3-pyridyl)methyl]-3-pyrrolidinamine

S056-0710 Screening compound: 1-[(6-propoxy-3-pyridyl)methyl]-3-pyrrolidinamine
S056-0710 Screening compound: 1-[(6-propoxy-3-pyridyl)methyl]-3-pyrrolidinamine alternative view

Chemical Structure Depiction of ChemDiv screening compound S056-0710
1-[(6-propoxy-3-pyridyl)methyl]-3-pyrrolidinamine

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

S056-0710

Molecular Formula

C13H21N3O (C13 H21 N3 O)

Compound Name

1-[(6-propoxy-3-pyridyl)methyl]-3-pyrrolidinamine

IUPAC name

1-[(6-propoxypyridin-3-yl)methyl]pyrrolidin-3-amine

SMILES

CCCOc1ncc(CN(CC2)CC2N)cc1

InChI

InChI=1S/C13H21N3O/c1-2-7-17-13-4-3-11(8-15-13)9-16-6-5-12(14)10-16/h3-4,8,12H,2,5-7,9-10,14H2,1H3/t12-/m1/s1

InChI Key

DEQYVHJZBOPFAN-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD29031250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

235.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.932

Distribution Coefficient, logD

-0.444

Water Solubility, LogSw

-1.56

Polar Surface Area

40.500

Acid Dissociation Constant (pKa)

26.07

Base Dissociation Constant (pKb)

8.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.54

S056-0710 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with S056-0710 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S056-0710?
Check Price and Availability of S056-0710, 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 S056-0710 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S056-0710
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S056-0710
  • 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 S056-0710 available by request