S632-5072 Screening compound: 1-(METHYLSULFONYL)-4-{1-[(3-METHYL-2-THIENYL)METHYL]TETRAHYDRO-1H-PYRROL-3-YL}PIPERIDINE

S632-5072 Screening compound: 1-(METHYLSULFONYL)-4-{1-[(3-METHYL-2-THIENYL)METHYL]TETRAHYDRO-1H-PYRROL-3-YL}PIPERIDINE
S632-5072 Screening compound: 1-(METHYLSULFONYL)-4-{1-[(3-METHYL-2-THIENYL)METHYL]TETRAHYDRO-1H-PYRROL-3-YL}PIPERIDINE alternative view

Chemical Structure Depiction of ChemDiv screening compound S632-5072
1-(METHYLSULFONYL)-4-{1-[(3-METHYL-2-THIENYL)METHYL]TETRAHYDRO-1H-PYRROL-3-YL}PIPERIDINE

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

S632-5072

Molecular Formula

C16H26N2O2S2 (C16 H26 N2 O2 S2)

Compound Name

1-(METHYLSULFONYL)-4-{1-[(3-METHYL-2-THIENYL)METHYL]TETRAHYDRO-1H-PYRROL-3-YL}PIPERIDINE

IUPAC name

1-methanesulfonyl-4-{1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl}piperidine

SMILES

Cc1c(CN(CC2)CC2C(CC2)CCN2S(C)(=O)=O)scc1

InChI

InChI=1S/C16H26N2O2S2/c1-13-6-10-21-16(13)12-17-7-3-15(11-17)14-4-8-18(9-5-14)22(2,19)20/h6,10,14-15H,3-5,7-9,11-12H2,1-2H3/t15-/m0/s1

InChI Key

MOKOETNZXHMNSF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD29013051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.438

Distribution Coefficient, logD

1.909

Water Solubility, LogSw

-2.51

Polar Surface Area

36.492

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

7.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

S632-5072 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S632-5072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S632-5072?
Check Price and Availability of S632-5072, 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 S632-5072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S632-5072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S632-5072
  • 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 S632-5072 available by request