S639-1496 Screening compound: N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(4-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]-1-cyclopentanecarboxamide

S639-1496 Screening compound: N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(4-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]-1-cyclopentanecarboxamide
S639-1496 Screening compound: N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(4-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]-1-cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S639-1496
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(4-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]-1-cyclopentanecarboxamide

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

S639-1496

Molecular Formula

C19H30N4O (C19 H30 N4 O)

Compound Name

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(4-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]-1-cyclopentanecarboxamide

IUPAC name

N-[(3S4R)-4-[(dimethylamino)methyl]-1-[(pyridin-4-yl)methyl]pyrrolidin-3-yl]cyclopentanecarboxamide

SMILES

CN(C)C[C@@H](CN(Cc1ccncc1)C1)[C@H]1NC(C1CCCC1)=O

InChI

InChI=1S/C19H30N4O/c1-22(2)12-17-13-23(11-15-7-9-20-10-8-15)14-18(17)21-19(24)16-5-3-4-6-16/h7-10,16-18H,3-6,11-14H2,1-2H3,(H,21,24)/t17-,18-/m0/s1

InChI Key

IXRAXECKXGTSPI-ROUUACIJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.803

Distribution Coefficient, logD

-1.321

Water Solubility, LogSw

-1.28

Polar Surface Area

42.414

Acid Dissociation Constant (pKa)

15.04

Base Dissociation Constant (pKb)

9.52

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

68.42

S639-1496 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
Targets:
  • GPCR
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S639-1496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S639-1496?
Check Price and Availability of S639-1496, 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 S639-1496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S639-1496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S639-1496
  • 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 S639-1496 available by request