S639-1855 Screening compound: N~1~-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}-1-ethanesulfonamide

S639-1855 Screening compound: N~1~-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}-1-ethanesulfonamide
S639-1855 Screening compound: N~1~-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}-1-ethanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S639-1855
N~1~-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}-1-ethanesulfonamide

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

S639-1855

Molecular Formula

C14H29N3O3S (C14 H29 N3 O3 S)

Compound Name

N~1~-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}-1-ethanesulfonamide

IUPAC name

N-[(3S4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]ethane-1-sulfonamide

SMILES

CCS(N[C@@H](C1)[C@@H](CN(C)C)CN1C1CCOCC1)(=O)=O

InChI

InChI=1S/C14H29N3O3S/c1-4-21(18,19)15-14-11-17(10-12(14)9-16(2)3)13-5-7-20-8-6-13/h12-15H,4-11H2,1-3H3/t12-,14-/m0/s1

InChI Key

UCZUDUCJGULLKW-JSGCOSHPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.014

Distribution Coefficient, logD

-1.780

Water Solubility, LogSw

-0.77

Polar Surface Area

59.346

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

100.00

S639-1855 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S639-1855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S639-1855?
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What is the minimum amount of S639-1855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S639-1855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S639-1855
  • 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 S639-1855 available by request