S639-1878 Screening compound: N-{4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl}-3,5-dimethyl-1,2-oxazole-4-sulfonamide

S639-1878 Screening compound: N-{4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl}-3,5-dimethyl-1,2-oxazole-4-sulfonamide
S639-1878 Screening compound: N-{4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl}-3,5-dimethyl-1,2-oxazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S639-1878
N-{4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl}-3,5-dimethyl-1,2-oxazole-4-sulfonamide

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

S639-1878

Molecular Formula

C17H30N4O4S (C17 H30 N4 O4 S)

Compound Name

N-{4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl}-3,5-dimethyl-1,2-oxazole-4-sulfonamide

IUPAC name

N-[(3S4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-35-dimethyl-12-oxazole-4-sulfonamide

SMILES

Cc1noc(C)c1S(N[C@@H](C1)[C@@H](CN(C)C)CN1C1CCOCC1)(=O)=O

InChI

InChI=1S/C17H30N4O4S/c1-12-17(13(2)25-18-12)26(22,23)19-16-11-21(10-14(16)9-20(3)4)15-5-7-24-8-6-15/h14-16,19H,5-11H2,1-4H3/t14-,16-/m0/s1

InChI Key

GQOKEGBNMDJVTP-HOCLYGCPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.084

Distribution Coefficient, logD

-1.788

Water Solubility, LogSw

-1.82

Polar Surface Area

79.486

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

9.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

82.35

S639-1878 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S639-1878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S639-1878?
Check Price and Availability of S639-1878, 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 S639-1878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S639-1878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S639-1878
  • 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 S639-1878 available by request