SC02-0679 Screening compound: N-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide

SC02-0679 Screening compound: N-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide
SC02-0679 Screening compound: N-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC02-0679
N-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide

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

SC02-0679

Molecular Formula

C17H26N2O4S (C17 H26 N2 O4 S)

Compound Name

N-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide

IUPAC name

N-{1-[(23-dihydro-1-benzofuran-5-yl)methyl]-3-(2-methoxyethyl)pyrrolidin-3-yl}methanesulfonamide

SMILES

COCCC1(CN(Cc(cc2)cc3c2OCC3)CC1)NS(C)(=O)=O

InChI

InChI=1S/C17H26N2O4S/c1-22-10-7-17(18-24(2,20)21)6-8-19(13-17)12-14-3-4-16-15(11-14)5-9-23-16/h3-4,11,18H,5-10,12-13H2,1-2H3/t17-/m1/s1

InChI Key

DMNLITZXLFQYQM-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32252656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.104

Distribution Coefficient, logD

0.566

Water Solubility, LogSw

-2.45

Polar Surface Area

63.890

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

7.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.71

SC02-0679 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC02-0679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC02-0679?
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What is the minimum amount of SC02-0679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC02-0679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC02-0679
  • 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 SC02-0679 available by request