S639-1415 Screening compound: N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl](phenyl)methanesulfonamide

S639-1415 Screening compound: N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl](phenyl)methanesulfonamide
S639-1415 Screening compound: N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl](phenyl)methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S639-1415
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl](phenyl)methanesulfonamide

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

S639-1415

Molecular Formula

C20H28N4O2S (C20 H28 N4 O2 S)

Compound Name

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl](phenyl)methanesulfonamide

IUPAC name

N-[(3S4R)-4-[(dimethylamino)methyl]-1-[(pyridin-2-yl)methyl]pyrrolidin-3-yl]-1-phenylmethanesulfonamide

SMILES

CN(C)C[C@@H](CN(Cc1ncccc1)C1)[C@H]1NS(Cc1ccccc1)(=O)=O

InChI

InChI=1S/C20H28N4O2S/c1-23(2)12-18-13-24(14-19-10-6-7-11-21-19)15-20(18)22-27(25,26)16-17-8-4-3-5-9-17/h3-11,18,20,22H,12-16H2,1-2H3/t18-,20-/m0/s1

InChI Key

BQKVISFVPHJCAP-ICSRJNTNSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.031

Distribution Coefficient, logD

-0.690

Water Solubility, LogSw

-2.28

Polar Surface Area

61.156

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

9.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.00

S639-1415 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with S639-1415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S639-1415?
Check Price and Availability of S639-1415, 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 S639-1415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S639-1415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S639-1415
  • 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 S639-1415 available by request