S639-3340 Screening compound: 4-chloro-N-{4-[(dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-yl}-2-methoxybenzamide

S639-3340 Screening compound: 4-chloro-N-{4-[(dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-yl}-2-methoxybenzamide
S639-3340 Screening compound: 4-chloro-N-{4-[(dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-yl}-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S639-3340
4-chloro-N-{4-[(dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-yl}-2-methoxybenzamide

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

S639-3340

Molecular Formula

C16H24ClN3O4S (C16 H24 ClN3 O4 S)

Compound Name

4-chloro-N-{4-[(dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-yl}-2-methoxybenzamide

IUPAC name

4-chloro-N-[(3S4R)-4-[(dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-yl]-2-methoxybenzamide

SMILES

CN(C)C[C@@H](CN(C1)S(C)(=O)=O)[C@H]1NC(c(ccc(Cl)c1)c1OC)=O

InChI

InChI=1S/C16H24ClN3O4S/c1-19(2)8-11-9-20(25(4,22)23)10-14(11)18-16(21)13-6-5-12(17)7-15(13)24-3/h5-7,11,14H,8-10H2,1-4H3,(H,18,21)/t11-,14-/m0/s1

InChI Key

MIJAVTUFDUQXMA-FZMZJTMJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.617

Distribution Coefficient, logD

-0.308

Water Solubility, LogSw

-2.99

Polar Surface Area

67.801

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

9.32

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.30

S639-3340 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)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S639-3340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S639-3340?
Check Price and Availability of S639-3340, 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 S639-3340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S639-3340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S639-3340
  • 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 S639-3340 available by request