S639-0365 Screening compound: N~5~-{(3S,4R)-4-[(dimethylamino)methyl]-1-methyltetrahydro-1H-pyrrol-3-yl}-5-indanesulfonamide

S639-0365 Screening compound: N~5~-{(3S,4R)-4-[(dimethylamino)methyl]-1-methyltetrahydro-1H-pyrrol-3-yl}-5-indanesulfonamide
S639-0365 Screening compound: N~5~-{(3S,4R)-4-[(dimethylamino)methyl]-1-methyltetrahydro-1H-pyrrol-3-yl}-5-indanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S639-0365
N~5~-{(3S,4R)-4-[(dimethylamino)methyl]-1-methyltetrahydro-1H-pyrrol-3-yl}-5-indanesulfonamide

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

S639-0365

Molecular Formula

C17H27N3O2S (C17 H27 N3 O2 S)

Compound Name

N~5~-{(3S,4R)-4-[(dimethylamino)methyl]-1-methyltetrahydro-1H-pyrrol-3-yl}-5-indanesulfonamide

IUPAC name

N-[(3S4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-23-dihydro-1H-indene-5-sulfonamide

SMILES

CN(C)C[C@@H](CN(C)C1)[C@H]1NS(c1cc(CCC2)c2cc1)(=O)=O

InChI

InChI=1S/C17H27N3O2S/c1-19(2)10-15-11-20(3)12-17(15)18-23(21,22)16-8-7-13-5-4-6-14(13)9-16/h7-9,15,17-18H,4-6,10-12H2,1-3H3/t15-,17-/m0/s1

InChI Key

FRNWLYWUUFNISO-RDJZCZTQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.833

Distribution Coefficient, logD

0.095

Water Solubility, LogSw

-2.58

Polar Surface Area

50.209

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

64.71

S639-0365 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)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S639-0365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S639-0365?
Check Price and Availability of S639-0365, 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 S639-0365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S639-0365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S639-0365
  • 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 S639-0365 available by request