3506-0080 Screening compound: 1-[3-(4-chlorobenzenesulfonyl)benzenesulfonyl]pyrrolidine

3506-0080 Screening compound: 1-[3-(4-chlorobenzenesulfonyl)benzenesulfonyl]pyrrolidine
3506-0080 Screening compound: 1-[3-(4-chlorobenzenesulfonyl)benzenesulfonyl]pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3506-0080
1-[3-(4-chlorobenzenesulfonyl)benzenesulfonyl]pyrrolidine

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

3506-0080

Molecular Formula

C16H16ClNO4S2 (C16 H16 ClNO4 S2)

Compound Name

1-[3-(4-chlorobenzenesulfonyl)benzenesulfonyl]pyrrolidine

IUPAC name

1-[3-(4-chlorobenzenesulfonyl)benzenesulfonyl]pyrrolidine

SMILES

O=S(c(cc1)ccc1Cl)(c1cc(S(N2CCCC2)(=O)=O)ccc1)=O

InChI

InChI=1S/C16H16ClNO4S2/c17-13-6-8-14(9-7-13)23(19,20)15-4-3-5-16(12-15)24(21,22)18-10-1-2-11-18/h3-9,12H,1-2,10-11H2

InChI Key

VGDHKGWZUVGTMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01203084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.89

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.471

Distribution Coefficient, logD

3.471

Water Solubility, LogSw

-3.68

Polar Surface Area

61.816

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

-4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3506-0080 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 3506-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3506-0080?
Check Price and Availability of 3506-0080, 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 3506-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3506-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3506-0080
  • 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 3506-0080 available by request