SC02-0319 Screening compound: N-[1-(4-fluorobenzenesulfonyl)-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide

SC02-0319 Screening compound: N-[1-(4-fluorobenzenesulfonyl)-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide
SC02-0319 Screening compound: N-[1-(4-fluorobenzenesulfonyl)-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC02-0319
N-[1-(4-fluorobenzenesulfonyl)-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide

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

SC02-0319

Molecular Formula

C19H23FN2O5S2 (C19 H23 FN2 O5 S2)

Compound Name

N-[1-(4-fluorobenzenesulfonyl)-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide

IUPAC name

N-[1-(4-fluorobenzenesulfonyl)-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide

SMILES

COCCC(CC1)(CN1S(c(cc1)ccc1F)(=O)=O)NS(c1ccccc1)(=O)=O

InChI

InChI=1S/C19H23FN2O5S2/c1-27-14-12-19(21-28(23,24)17-5-3-2-4-6-17)11-13-22(15-19)29(25,26)18-9-7-16(20)8-10-18/h2-10,21H,11-15H2,1H3/t19-/m1/s1

InChI Key

LWHOSMKWGFPQDP-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32252176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.332

Distribution Coefficient, logD

2.332

Water Solubility, LogSw

-2.86

Polar Surface Area

82.413

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

-6.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.84

SC02-0319 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC02-0319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC02-0319?
Check Price and Availability of SC02-0319, 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 SC02-0319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC02-0319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC02-0319
  • 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 SC02-0319 available by request