SC02-0345 Screening compound: N-[3-(2-methoxyethyl)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]benzenesulfonamide

SC02-0345 Screening compound: N-[3-(2-methoxyethyl)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]benzenesulfonamide
SC02-0345 Screening compound: N-[3-(2-methoxyethyl)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC02-0345
N-[3-(2-methoxyethyl)-1-(oxane-4-carbonyl)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

SC02-0345

Molecular Formula

C19H28N2O5S (C19 H28 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COCCC(CC1)(CN1C(C1CCOCC1)=O)NS(c1ccccc1)(=O)=O

InChI

InChI=1S/C19H28N2O5S/c1-25-14-10-19(20-27(23,24)17-5-3-2-4-6-17)9-11-21(15-19)18(22)16-7-12-26-13-8-16/h2-6,16,20H,7-15H2,1H3/t19-/m1/s1

InChI Key

NMHIXGCFWHKSFV-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32252530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.310

Distribution Coefficient, logD

1.310

Water Solubility, LogSw

-2.49

Polar Surface Area

75.451

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

SC02-0345 in Drug Discovery

Included in Screening Libraries

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 SC02-0345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC02-0345?
Check Price and Availability of SC02-0345, 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 SC02-0345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC02-0345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC02-0345
  • 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 SC02-0345 available by request